SCHEMBL7486606

SCHEMBL7486606

COc1ccc(OC)c(N2CCC(=O)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 2/20 0.50
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL9832152 0.91 MAPT (0.57) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL7492848 0.87 TSHR (0.54) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL8382286 0.86 MAPT (0.67) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL15710383 0.84 HTR3E (0.49) MAPTALDH1A1KDM4EKMT2ATSHR
SCHEMBL9830402 0.83 MAPT (0.63) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL15720434 0.83 ALDH1A1 (0.44) LMNAALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL10156829 0.80 HTR3E (0.41) MAPTLMNAALDH1A1KMT2AHSD17B10
SCHEMBL7957349 0.80 ALDH1A1 (0.50) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL17543576 0.79 ALDH1A1 (0.55) LMNAALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL7485676 0.79 HTR6 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP disclosed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP disclosed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US disclosed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 WO disclosed