SCHEMBL5204575

SCHEMBL5204575

O=C(O)Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)C(=O)C2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
OPRL1 P41146 6/20 0.47
OPRK1 P41145 5/20 0.47
PLD1 Q13393 1/20 0.41
MCHR1 Q99705 1/20 0.41
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
SIGMAR1 Q99720 2/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CCR3 P51677 1/20 0.38
CACNA1G O43497 1/20 0.38
KDM1A O60341 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
SCHEMBL5202784 0.89 OPRM1 (0.49) OPRM1OPRL1OPRK1MCHR1HTR2A
SCHEMBL5204148 0.87 HTR2A (0.47) OPRM1OPRL1OPRK1PLD1HTR2A
SCHEMBL5204015 0.85 OPRM1 (0.47) OPRM1OPRL1OPRK1PLD1HTR2A
SCHEMBL5871576 0.83 MCHR1 (0.42) OPRM1MCHR1SIGMAR1CCR3CACNA1G
SCHEMBL5201788 0.83 OPRM1 (0.47) OPRM1OPRL1OPRK1MCHR1HTR2A
SCHEMBL5205043 0.81 OPRM1 (0.49) OPRM1OPRL1OPRK1MCHR1HTR2A
SCHEMBL5204586 0.78 OPRM1 (0.47) OPRM1OPRL1OPRK1PLD1SCN1A
SCHEMBL5202790 0.75 OPRM1 (0.50) OPRM1OPRL1OPRK1PLD1SCN1A
SCHEMBL5206812 0.74 SIGMAR1 (0.40) OPRM1HTR2ASIGMAR1CCR3CACNA1G
SCHEMBL5204295 0.74 OPRM1 (0.40) OPRM1OPRK1HTR2ASIGMAR1CCR3

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-1179532-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR EISAI R&D MAN CO LTD (JP) 2007-06-13 EP disclosed
US-6573384-B1 1,4-substituted cyclic amine compound which is useful as a pharmaceutical, and an intermediate for the process EISAI CO., LTD. (JP) 2003-06-03 US disclosed
EP-1179532-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR Eisai Co., Ltd. (JP) 2002-02-13 EP disclosed