SCHEMBL4743566

SCHEMBL4743566

CSc1cccc(N2C(=O)CSC2c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.55
GFER P55789 3/20 0.52
POLB P06746 1/20 0.49
CACNA1B Q00975 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL4747360 0.90 HTR7 (0.56) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL27881749 0.89 GFER (0.61) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL4747970 0.83 KMT2A (0.61) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL4744263 0.83 HTR7 (0.58) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL4743953 0.83 GFER (0.60) HTR7GFERCACNA1BKMT2ACYP1A2
SCHEMBL8103220 0.83 GFER (0.63) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL4744306 0.81 HTR7 (0.53) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL4747274 0.81 HTR7 (0.53) HTR7GFERPOLBCACNA1BKMT2A
SCHEMBL28491694 0.80 HTR7 (0.58) HTR7GFERPOLBKMT2ACYP1A2
SCHEMBL28491691 0.80 HTR7 (0.58) HTR7GFERPOLBKMT2ACYP1A2

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
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed