SCHEMBL5339999

SCHEMBL5339999

OCCCCc1nn(Cc2ccc(F)cc2Cl)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 8/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
AR P10275 1/20 0.38
RXRA P19793 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
PPM1A P35813 1/20 0.35
TP53 P04637 3/20 0.35
GRM2 Q14416 1/20 0.35
P2RX7 Q99572 3/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL5343398 0.99 F2RL3 (0.38) F2RL3NR1H2NR1H3NR1I2NR3C1
SCHEMBL5269646 0.97 F2RL3 (0.39) F2RL3NR1H2NR1H3NR1I2NR3C1
SCHEMBL5319971 0.93 F2RL3 (0.40) F2RL3NR1H2NR1H3NR1I2NR3C1
SCHEMBL5340310 0.91 TRPV1 (0.40) F2RL3CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL5334131 0.91 TRPV1 (0.40) F2RL3CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL5342237 0.90 F2RL3 (0.44) F2RL3CYP3A4CYP2C9PPM1ASCN5A
SCHEMBL5346581 0.90 F2RL3 (0.43) F2RL3CYP3A4CYP2C9PPM1ASCN5A
SCHEMBL5321104 0.89 F2RL3 (0.45) F2RL3NR1H2NR1H3NR1I2NR3C1
SCHEMBL5322288 0.89 FFAR4 (0.41) CYP3A4CYP2C9TP53SCN5A
SCHEMBL5317597 0.89 TRPV1 (0.41) F2RL3CYP1A2CYP3A4CYP2C9CYP2D6

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