SCHEMBL672432

SCHEMBL672432

CCCn1cc(-n2c(C)c(Sc3ccc(C(F)(F)F)cc3)c3ccc(Cl)c(F)c32)cn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.64
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL19750157 0.83 ENPP2 (0.57) ENPP2
SCHEMBL19389530 0.83 ENPP2 (0.61) ENPP2
SCHEMBL671471 0.83 ENPP2 (0.63) ENPP2
SCHEMBL670977 0.82 ENPP2 (0.74) ENPP2
SCHEMBL673079 0.81 ENPP2 (0.58) ENPP2
SCHEMBL672936 0.81 ENPP2 (0.65) ENPP2
SCHEMBL671967 0.80 ENPP2 (0.69) ENPP2
SCHEMBL671447 0.80 ENPP2 (0.74) ENPP2
SCHEMBL19750138 0.80 ENPP2 (0.54) ENPP2
SCHEMBL14234137 0.80 ENPP2 (0.59) ENPP2

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-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 WO disclosed