SCHEMBL7040179

SCHEMBL7040179

COc1cccc(CN2CCN(C3CCC(OC)(c4ccc(F)cc4)CC3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.59
SIGMAR1 Q99720 1/20 0.51
TACR1 P25103 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CACNA1G O43497 1/20 0.45

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
SCHEMBL7037557 0.88 HTR1D (0.72) HTR1D
SCHEMBL8187682 0.81 TRPV6 (0.56) HTR1DSIGMAR1TACR1MEN1KMT2A
SCHEMBL7038207 0.78 HTR1D (0.69) HTR1DSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL9038176 0.78 GAA (0.47) SIGMAR1MEN1KMT2A
SCHEMBL667793 0.76 ALDH1A1 (0.61) HTR1DSIGMAR1MEN1KMT2AKDM4E
SCHEMBL9035305 0.74 HTR1D (1.00) HTR1D
SCHEMBL7107899 0.74 HTR1D (0.54) HTR1D
SCHEMBL20804357 0.73 SIGMAR1 (0.90) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28186295 0.73 SIGMAR1 (0.90) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7038208 0.73 TRPV6 (0.62) HTR1DSIGMAR1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP claimed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP claimed
EP-1037637-B1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY UNIV PRINCETON (US) 2003-03-19 EP disclosed
EP-1037637-A1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY PRINCETON UNIVERSITY (US) 2000-09-27 EP disclosed
US-5919802-A Methods of preventing and/or treating temporal lobe epilepsy PRINCETON UNIVERSITY (US) 1999-07-06 US disclosed
WO-1999029323-A1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY PRINCETON UNIVERSITY (US) 1999-06-17 WO disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP disclosed