SCHEMBL4407

SCHEMBL4407

Cc1noc(-c2ccc(Br)cc2)c1NCC(C)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.42
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
FFAR1 O14842 6/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.38
PPARA Q07869 2/20 0.38
MAPT P10636 1/20 0.38
CHRM5 P08912 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOB P27338 4/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL4406 0.85 SMPD1 (0.44) SMPD1ADAMTS4MMP13FFAR1PPARG
SCHEMBL7648 0.81 MEN1 (0.44) MAPT
SCHEMBL1406 0.72 LPAR1 (0.40) PPARGPPARDPPARAMAPTS1PR1
SCHEMBL6655 0.71 MEN1 (0.42) MAPT
SCHEMBL343557 0.71 LPAR1 (0.66) MAPT
SCHEMBL21568941 0.70 MAOB (0.70) FFAR1MAOB
SCHEMBL1733 0.70 LPAR1 (0.37) MAPT
SCHEMBL14854 0.68 PPARD (0.42) SMPD1ADAMTS4MMP13FFAR1PPARG
SCHEMBL2635566 0.68 MAPT (0.52) SMPD1PPARGPPARDPPARAMAPT
SCHEMBL6984 0.68 LPAR1 (0.44) MAPT

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-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed