SCHEMBL5328457

SCHEMBL5328457

Cc1c(CN)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
DPP4 P27487 13/20 0.40
DPP8 Q6V1X1 5/20 0.40
DPP9 Q86TI2 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
RAB9A P51151 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
LMNA P02545 1/20 0.35
PTPN7 P35236 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
Hydrochloric Acid SCHEMBL3552134 0.99 HSD11B1 (0.42) HSD11B1DPP4DPP8DPP9ALDH1A1
SCHEMBL5300506 0.92 DPP4 (0.37) HSD11B1DPP4DPP8DPP9ALDH1A1
Hydrochloric Acid SCHEMBL3551834 0.91 DPP4 (0.36) HSD11B1DPP4DPP8DPP9ALDH1A1
SCHEMBL3552196 0.77 HSD11B1 (0.35) HSD11B1ALDH1A1HPGDKMT2AUSP2
SCHEMBL3549630 0.77 HSD11B1 (0.35) HSD11B1
SCHEMBL3548754 0.77 CNR1 (0.40) HSD11B1
SCHEMBL3555731 0.76 CDC7 (0.46) HSD11B1DPP4DPP8ALDH1A1HPGD
SCHEMBL3551713 0.75 CNR1 (0.39) HSD11B1ALDH1A1KDM4E
SCHEMBL3547208 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3549304 0.75 SRD5A2 (0.45) HSD11B1ALDH1A1HPGDKMT2AUSP2

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-1833812-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL]AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-09-19 EP disclosed
WO-2006070106-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-07-06 WO disclosed