SCHEMBL7386301

SCHEMBL7386301

Cc1ccc(C(=O)NCCCN2C[CH]CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.58
▸ TMEM97 Q5BJF2 2/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ TSHR P16473 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ DRD2 P14416 1/20 0.48

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
SCHEMBL7392982 0.87 TMEM97 (0.61) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL7387080 0.87 SIGMAR1 (0.63) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL7388218 0.86 ALDH1A1 (0.62) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL7395714 0.86 NPC1 (0.60) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL10723752 0.86 LMNA (0.74) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL7389082 0.84 SMN1; SMN2 (0.55) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL10194869 0.83 NPSR1 (0.81) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL7392283 0.83 CCR3 (0.59) ALDH1A1SMN1; SMN2DRD2DRD3KDM4E
SCHEMBL7386884 0.83 POLB (0.58) LMNAMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL178534 0.82 KMT2A (0.71) LMNAMAPK1HTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 — — EP disclosed
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