SCHEMBL5205043

SCHEMBL5205043

O=C(O)Cc1ccc2c(c1)N(C1CCN(CCc3cccc(Cl)c3)CC1)C(=O)C2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
OPRL1 P41146 3/20 0.49
OPRK1 P41145 2/20 0.49
SIGMAR1 Q99720 5/20 0.42
MCHR1 Q99705 1/20 0.41
CCR5 P51681 1/20 0.41
HTR2A P28223 2/20 0.38
HTR7 P34969 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 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
SCHEMBL5201788 0.91 OPRM1 (0.47) OPRM1OPRL1OPRK1SIGMAR1MCHR1
SCHEMBL5204015 0.89 OPRM1 (0.47) OPRM1OPRL1OPRK1SIGMAR1HTR2A
SCHEMBL5202784 0.85 OPRM1 (0.49) OPRM1OPRL1OPRK1SIGMAR1MCHR1
SCHEMBL5204148 0.85 HTR2A (0.47) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL5204575 0.81 OPRM1 (0.47) OPRM1OPRL1OPRK1SIGMAR1MCHR1
SCHEMBL5202790 0.77 OPRM1 (0.50) OPRM1OPRL1OPRK1
SCHEMBL5206848 0.76 SIGMAR1 (0.44) OPRM1SIGMAR1CCR5DRD2KCNH2
SCHEMBL5204586 0.74 OPRM1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL5204028 0.74 SIGMAR1 (0.42) OPRM1SIGMAR1CCR5DRD2KCNH2
SCHEMBL30076474 0.69 OPRM1 (0.44) OPRM1OPRL1OPRK1HTR2ADRD2

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