SCHEMBL8556742

SCHEMBL8556742

O=C(Cc1c[nH]c2ccc(F)cc12)N1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.61
OPRM1 P35372 2/20 0.55
OPRK1 P41145 2/20 0.55
OPRL1 P41146 2/20 0.55
TSHR P16473 1/20 0.55
SLC6A4 P31645 4/20 0.51
HTR1D P28221 4/20 0.51
HTR1A P08908 4/20 0.51
CCR2 P41597 1/20 0.50
HTR1B P28222 2/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
HTR1F P30939 1/20 0.49

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
SCHEMBL8557474 0.88 HSD11B1 (0.48) HSD11B1OPRM1OPRK1OPRL1TSHR
SCHEMBL7464929 0.85 HSD11B1 (0.57) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8870741 0.84 TSHR (0.50) HSD11B1TSHRSLC6A4HTR1A
SCHEMBL5340537 0.83 HSD11B1 (0.68) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL18324763 0.82 KDM4E (0.69) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL9541312 0.81 TSHR (0.60) TSHRSLC6A4HTR1A
SCHEMBL8870996 0.81 TSHR (0.47) HSD11B1TSHRSLC6A4HTR1AHTR7
SCHEMBL6347867 0.79 HSD11B1 (0.76) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL10922885 0.79 HSD11B1 (0.66) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8557211 0.78 KMT2A (0.52) HSD11B1OPRM1OPRK1OPRL1SLC6A4

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