SCHEMBL5336983

SCHEMBL5336983

OCC/C=C/c1nn(Cc2ccc(F)cc2F)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.43
KCNK3 O14649 1/20 0.39
PPM1A P35813 1/20 0.38
RORC P51449 1/20 0.35
ENPP2 Q13822 1/20 0.35
CYP2C19 P33261 2/20 0.32
ALOX5AP P20292 4/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CHRM5 P08912 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
GPR139 Q6DWJ6 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
PTGDR Q13258 1/20 0.31

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
SCHEMBL5336985 1.00 F2RL3 (0.43) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5349786 0.94 F2RL3 (0.42) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5349782 0.94 F2RL3 (0.42) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5321178 0.92 F2RL3 (0.45) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5321176 0.92 F2RL3 (0.45) F2RL3KCNK3PPM1ARORCENPP2
SCHEMBL5378187 0.91 F2RL3 (0.38) F2RL3PPM1AENPP2CYP1A2CYP3A4
SCHEMBL5378191 0.91 F2RL3 (0.38) F2RL3PPM1AENPP2CYP1A2CYP3A4
SCHEMBL5380645 0.91 ENPP2 (0.39) F2RL3KCNK3RORCENPP2ALOX5AP
SCHEMBL5380651 0.91 ENPP2 (0.39) F2RL3KCNK3RORCENPP2ALOX5AP
SCHEMBL1083530 0.86 KCNK3 (0.42) F2RL3KCNK3RORCENPP2CYP2C19

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