SCHEMBL8554103

SCHEMBL8554103

COc1cccc2[nH]cc(C3CCNCC3)c12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.60
HTR2A P28223 5/20 0.60
HTR2B P41595 1/20 0.60
ADRB2 P07550 1/20 0.54
HTR1A P08908 4/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 4/20 0.47
HTR6 P50406 1/20 0.44
JUND P17535 1/20 0.42
FOSB P53539 1/20 0.42

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
SCHEMBL7876381 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BADRB2HTR1A
SCHEMBL24509701 0.80 HTR2A (0.50) HTR2CHTR2AHTR2BADRB2HTR1A
SCHEMBL18324902 0.78 HTR2A (0.52) HTR2CHTR2AHTR2BHTR1A
SCHEMBL4670703 0.78 HTR2C (0.58) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL5387687 0.78 SLC6A4 (0.59) HTR2CHTR2AADRB2HTR1ASLC6A2
SCHEMBL26965710 0.78 HTR2C (0.58) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL8879510 0.78 NR4A2 (0.50) HTR2CADRB2
SCHEMBL17837845 0.75 HTR2C (0.49) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL330081 0.75 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29891667 0.75 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed