SCHEMBL5201788

SCHEMBL5201788

O=C(O)Cc1ccc2c(c1)N(C1CCN(CCc3ccc(Cl)cc3)CC1)C(=O)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.47
OPRL1 P41146 3/20 0.47
OPRK1 P41145 2/20 0.47
KCNH2 Q12809 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 3/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MCHR1 Q99705 1/20 0.38
PARK7 Q99497 1/20 0.38
EBP Q15125 1/20 0.37

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
SCHEMBL5205043 0.91 OPRM1 (0.49) OPRM1OPRL1OPRK1KCNH2DRD2
SCHEMBL5204148 0.90 HTR2A (0.47) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL5202784 0.87 OPRM1 (0.49) OPRM1OPRL1OPRK1KCNH2SIGMAR1
SCHEMBL5204015 0.85 OPRM1 (0.47) OPRM1OPRL1OPRK1SIGMAR1HTR2A
SCHEMBL5204575 0.83 OPRM1 (0.47) OPRM1OPRL1OPRK1SIGMAR1HTR2A
SCHEMBL5202790 0.76 OPRM1 (0.50) OPRM1OPRL1OPRK1
SCHEMBL5201956 0.73 KCNH2 (0.43) OPRM1KCNH2L3MBTL1DRD2DRD4
SCHEMBL5204586 0.73 OPRM1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL5204477 0.72 KCNH2 (0.42) OPRM1KCNH2L3MBTL1DRD2DRD4
SCHEMBL5870947 0.71 HTR1A (0.49) HTR2AHTR7HTR2C

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