SCHEMBL8557700

SCHEMBL8557700

Fc1ccc2[nH]cc(CCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.71
HTR1A P08908 7/20 0.65
SLC6A4 P31645 5/20 0.65
HTR7 P34969 3/20 0.65
KCNH2 Q12809 2/20 0.65
OPRM1 P35372 2/20 0.65
OPRK1 P41145 2/20 0.65
OPRL1 P41146 2/20 0.65
HTR6 P50406 2/20 0.61
DRD2 P14416 2/20 0.61
HTR2A P28223 1/20 0.59
ADRA1D P25100 1/20 0.58

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
SCHEMBL8557344 0.93 HTR1A (0.76) MPOHTR1ASLC6A4HTR7KCNH2
SCHEMBL8557097 0.92 HTR1A (0.70) MPOHTR1ASLC6A4HTR7KCNH2
SCHEMBL8558891 0.88 ADRA1D (0.71) MPOHTR1ASLC6A4HTR7KCNH2
SCHEMBL8558619 0.87 HTR1A (0.62) MPOHTR1ASLC6A4HTR7KCNH2
SCHEMBL7529023 0.86 HTR1A (0.64) HTR1ASLC6A4HTR7KCNH2OPRM1
SCHEMBL28937168 0.86 HTR1A (0.73) HTR1ASLC6A4HTR7KCNH2OPRM1
SCHEMBL29535031 0.86 HTR1A (0.73) HTR1ASLC6A4HTR7KCNH2OPRM1
SCHEMBL8877428 0.85 OPRM1 (0.67) HTR1ASLC6A4HTR7OPRM1OPRK1
Hydrochloric Acid SCHEMBL9030489 0.85 HTR1A (0.63) HTR1ASLC6A4HTR7KCNH2OPRM1
SCHEMBL29534956 0.85 HTR1A (0.58) MPOHTR1ASLC6A4HTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1047385-C 3-indolylpiperidine MERCK PATENT GMBH (DE) 1999-12-15 CN disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
CN-1114651-A 3-indolylpiperidine MERCK PATENT GMBH (DE) 1996-01-10 CN disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed