SCHEMBL5349786

SCHEMBL5349786

OCCCC=Cc1nn(Cc2ccc(F)cc2F)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.42
KCNK3 O14649 1/20 0.38
PPM1A P35813 1/20 0.37
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
RORC P51449 1/20 0.34
ENPP2 Q13822 1/20 0.34
CYP2C19 P33261 1/20 0.31
ALOX5AP P20292 5/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CHRM5 P08912 1/20 0.31
GPR139 Q6DWJ6 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
SCHEMBL5349782 1.00 F2RL3 (0.42) F2RL3KCNK3PPM1ASCN5ASCN9A
SCHEMBL5336983 0.94 F2RL3 (0.43) F2RL3KCNK3PPM1ASCN5ASCN9A
SCHEMBL5336985 0.94 F2RL3 (0.43) F2RL3KCNK3PPM1ASCN5ASCN9A
SCHEMBL5337868 0.91 ENPP2 (0.38) F2RL3KCNK3SCN5ASCN9ARORC
SCHEMBL5333741 0.91 F2RL3 (0.37) F2RL3PPM1ASCN5ASCN9AENPP2
SCHEMBL5333744 0.91 F2RL3 (0.37) F2RL3PPM1ASCN5ASCN9AENPP2
SCHEMBL5337864 0.91 ENPP2 (0.38) F2RL3KCNK3SCN5ASCN9ARORC
SCHEMBL5321176 0.91 F2RL3 (0.45) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5321178 0.91 F2RL3 (0.45) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5316760 0.86 KCNK3 (0.37) KCNK3ENPP2CYP2C19PTGDR2

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-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed