SCHEMBL7490175

SCHEMBL7490175

CCn1c(CCC2CCCN2Cc2ccccc2)cc2ccc(C#N)cc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.52
▸ HRH3 Q9Y5N1 10/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ CASR P41180 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.39
▸ ABCB1 P08183 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL7451480 1.00 SLC6A4 (0.52) SLC6A4HRH3SPHK2CASRSPHK1
SCHEMBL7490906 0.83 SLC6A4 (0.52) SLC6A4HRH3
SCHEMBL7447108 0.83 MEN1 (0.39) SLC6A4HRH3
SCHEMBL7496052 0.83 MEN1 (0.39) SLC6A4HRH3
SCHEMBL7495148 0.81 SPHK1 (0.40) SLC6A4SPHK2SPHK1
SCHEMBL7491381 0.81 HRH3 (0.40) SLC6A4HRH3
SCHEMBL7440202 0.80 HRH3 (0.47) SLC6A4HRH3SPHK2CASR
SCHEMBL7440197 0.80 HRH3 (0.47) SLC6A4HRH3SPHK2CASR
SCHEMBL7491392 0.79 SLC6A4 (0.42) SLC6A4HRH3
SCHEMBL7490466 0.79 HRH3 (0.37) SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
Send feedback