SCHEMBL3667640

SCHEMBL3667640

Cc1cccc(Cc2ccccc2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
HTR2A P28223 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CTRC Q99895 1/20 0.42
TSHR P16473 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4872180 0.87 CALM1 (0.52) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL28025161 0.81 CALM1 (0.46) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL31152647 0.81 CALM1 (0.46) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL7192027 0.80 HTR2A (0.54) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL2140999 0.80 HTR2A (0.54) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL28897010 0.80 TAAR1 (0.39) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL29940610 0.80 CALM1 (0.55) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL9741301 0.80 CALM1 (0.55) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL275838 0.80 CALM1 (0.55) CALM1HTR2ACYP3A4CYP2D6CYP2C19
SCHEMBL24298226 0.80 TSHR (0.52) SMN1; SMN2TSHRMAPTALDH1A1L3MBTL1

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-2242747-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF Sanofi-Aventis (FR) 2010-10-27 EP disclosed
WO-2009097997-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed