SCHEMBL8875495

SCHEMBL8875495

FC(F)(F)c1cccc2[nH]cc(C3CCNCC3)c12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.59
ADRB2 P07550 1/20 0.54
SLC6A4 P31645 3/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
APP P05067 3/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR6 P50406 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL5387687 0.81 SLC6A4 (0.59) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL4670703 0.78 HTR2C (0.58) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL26965710 0.78 HTR2C (0.58) HTR2CADRB2SLC6A4APP
SCHEMBL8877318 0.76 SLC6A4 (0.57) SLC6A4
SCHEMBL30228461 0.75 HTR2C (1.00) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL613612 0.75 HTR2C (1.00) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL8879489 0.74 HTR2C (0.54) HTR2CADRB2SLC6A4APPHTR6
SCHEMBL8554103 0.74 HTR2C (0.60) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL2783823 0.74 HTR2C (0.73) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL30853595 0.73 HTR2C (1.00) HTR2CSLC6A4HTR1ASLC6A2SLC6A3

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
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 US disclosed
CN-1133840-A Indolepiperidine derivatives MERCK PATENT GMBH (DE) 1996-10-23 CN disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed