SCHEMBL8557211

SCHEMBL8557211

O=C(CCc1c[nH]c2ccc(F)cc12)N1CCC(c2c[nH]c3cccc(F)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
KCNH2 Q12809 3/20 0.49
SLC6A4 P31645 3/20 0.49
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.49
MPO P05164 3/20 0.48
HSD11B1 P28845 3/20 0.47
GLA P06280 1/20 0.47
HTR6 P50406 2/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
MEN1 O00255 1/20 0.45

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 0.91 HSD11B1 (0.48) KCNH2SLC6A4HTR7HTR1AHSD11B1
SCHEMBL8871409 0.85 KMT2A (0.51) KMT2ALMNAKCNH2SLC6A4HTR7
SCHEMBL8558619 0.84 HTR1A (0.62) KCNH2SLC6A4HTR7HTR1AMPO
SCHEMBL8554029 0.82 HTR1A (0.70) KCNH2SLC6A4HTR7HTR1AMPO
SCHEMBL8871407 0.79 KMT2A (0.48) KMT2ALMNASLC6A4HTR1AMPO
SCHEMBL8556742 0.78 HSD11B1 (0.61) SLC6A4HTR7HTR1AHSD11B1HTR6
SCHEMBL27319887 0.78 OPRM1 (0.45) KCNH2SLC6A4HTR7HTR1AHTR6
SCHEMBL11349537 0.77 MPO (0.56) KMT2ALMNAKCNH2SLC6A4HTR7
SCHEMBL8870996 0.75 TSHR (0.47) KCNH2SLC6A4HTR7HTR1AHSD11B1
SCHEMBL18324728 0.75 ALDH1A1 (0.65) SLC6A4HTR1AHSD11B1

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