SCHEMBL6994476

SCHEMBL6994476

CCCCCN1CC[C@H](CCOc2ccc(Cl)c(Cl)c2)[C@@H](OC)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
HRH3 Q9Y5N1 11/20 0.42
SLC6A4 P31645 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL6999454 1.00 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HRH1CCR3
SCHEMBL6994481 1.00 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HRH1CCR3
Oxalic Acid SCHEMBL7087974 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
Oxalic Acid SCHEMBL6992880 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
Oxalic Acid SCHEMBL7094320 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
Oxalic Acid SCHEMBL7087968 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
Oxalic Acid SCHEMBL7087972 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
Oxalic Acid SCHEMBL7094323 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
Oxalic Acid SCHEMBL6997680 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH3MEN1
SCHEMBL6999792 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HRH1CCR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP claimed
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP disclosed
US-5981539-A TREATMENT OF STROKE, ANOXIA, ISCHEMIA, MIGRAINE, PSYCHOSIS, EPILEPSY OR ANY OTHER CONVULSIVE DISORDER NEUROSEARCH A/S (DK) 1999-11-09 US disclosed