SCHEMBL466883

SCHEMBL466883

CCCN1CCC=C(C(CCc2ccccc2)=NO)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A1 P30531 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.36
MAOA P21397 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8215476 1.00 KMT2A (0.39) KMT2ARAB9AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL466882 0.99 KMT2A (0.40) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL9502374 0.85 CHRNB2 (0.42) RAB9AALDH1A1LMNABLMNPC1
SCHEMBL9502900 0.85 CHRNB2 (0.42) RAB9AALDH1A1LMNABLMNPC1
SCHEMBL9593787 0.77 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL467153 0.75 DRD4 (0.40) KMT2AALDH1A1KDM4ELMNABLM
Oxalic Acid SCHEMBL467154 0.75 DRD4 (0.40) KMT2AALDH1A1KDM4ELMNABLM
SCHEMBL9875369 0.72 DRD2 (0.35) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL9875372 0.72 DRD2 (0.35) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL9594631 0.69 SIGMAR1 (0.43) KMT2AMEN1ALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP claimed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US claimed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP claimed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
EP-2646025-B1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN ESTEVE LABOR DR (ES) 2017-03-15 EP disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
EP-2571501-B1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
EP-2460519-A1 Use of sigma ligands in bone cancer pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-06 EP disclosed
EP-2415471-A1 Use of sigma ligands in opioid-induced hyperalgesia Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-02-08 EP disclosed
EP-2388005-A1 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-11-23 EP disclosed
EP-2353598-A1 Sigma ligands for use in the prevention and/or treatment of postoperative pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP disclosed
WO-2000041684-A1 A PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF DEPRESSION WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
EP-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP disclosed
US-5073561-A N-substituted-pyridinyl oximes WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed