SCHEMBL7070092

SCHEMBL7070092

c1cc2c(c(OCCC3CCCCNC3)c1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.42
RXRB P28702 5/20 0.42
RXRA P19793 4/20 0.42
RXRG P48443 3/20 0.42
HRH3 Q9Y5N1 3/20 0.41
NPY1R P25929 3/20 0.40
HTR7 P34969 2/20 0.39
MCL1 Q07820 1/20 0.39
MCHR1 Q99705 1/20 0.39
IDO1 P14902 3/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6542294 0.78 S1PR5 (0.56) S1PR5RXRBRXRARXRGHRH3
SCHEMBL9719997 0.75 RXRA (0.55) RXRBRXRARXRGHRH3HTR7
SCHEMBL7847131 0.72 RXRA (0.50) RXRBRXRARXRGHTR7MCL1
Hydrochloric Acid SCHEMBL4496805 0.72 NPY1R (0.47) NPY1RIDO1
SCHEMBL30734997 0.72 NPY1R (0.43) NPY1RMCHR1IDO1HTR6
SCHEMBL26636104 0.72 NPY1R (0.43) NPY1RMCHR1IDO1HTR6
SCHEMBL26635881 0.72 NPY1R (0.43) NPY1RMCHR1IDO1HTR6
SCHEMBL30735107 0.72 NPY1R (0.43) NPY1RMCHR1IDO1HTR6
SCHEMBL26635886 0.72 NPY1R (0.43) NPY1RMCHR1IDO1HTR6
SCHEMBL13718669 0.71 EED (0.45) HRH3NPY1R

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
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed