SCHEMBL3907802

SCHEMBL3907802

O=C(O)N[C@H](CCl)Cc1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
APEX1 P27695 1/20 0.38
PMP22 Q01453 1/20 0.38
MME P08473 3/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CTRB1 P17538 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3905562 1.00 FPR2 (0.41) FPR2CYP1A2CYP2D6APEX1PMP22
SCHEMBL21144798 0.85 MAPK1 (0.50) FPR2CYP1A2CYP2D6MMECYP3A4
SCHEMBL3901670 0.85 MAPK1 (0.50) FPR2CYP1A2CYP2D6MMECYP3A4
SCHEMBL21144797 0.85 MAPK1 (0.50) FPR2CYP1A2CYP2D6MMECYP3A4
SCHEMBL27525436 0.78 ATM (0.53) CYP3A4
SCHEMBL27531117 0.78 ATM (0.53) CYP3A4
SCHEMBL27786644 0.76 CYP1A2 (0.58) CYP1A2CYP2D6APEX1PMP22ALDH1A1
SCHEMBL18546526 0.73 FPR2 (0.48) FPR2
SCHEMBL298697 0.73 FPR2 (0.48) FPR2
SCHEMBL2074452 0.72 CTSC (0.55) CYP1A2CYP2D6CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed