SCHEMBL4648872

SCHEMBL4648872

O=C(O)c1cc(N(Cc2ccccc2)Cc2ccsc2)[nH]n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.64
HCAR2 Q8TDS4 7/20 0.56
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
FFAR1 O14842 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL4648485 0.95 HCAR2 (0.61) HCAR3HCAR2MEN1KMT2AKDM4C
SCHEMBL4649196 0.90 HCAR3 (0.53) HCAR3HCAR2MMP1MMP2MMP9
SCHEMBL4621634 0.88 HCAR2 (0.56) HCAR3HCAR2MMP1MMP2MMP9
SCHEMBL4648280 0.88 HCAR3 (0.67) HCAR3HCAR2MEN1KMT2ARAB9A
SCHEMBL4647495 0.86 HCAR3 (0.49) HCAR3HCAR2MEN1KMT2A
SCHEMBL4647559 0.86 HCAR3 (0.53) HCAR3HCAR2MMP1MMP13KMT2A
SCHEMBL4648191 0.85 HCAR3 (0.51) HCAR3HCAR2MEN1KMT2AKDM4C
SCHEMBL4647131 0.79 HCAR2 (0.62) HCAR3HCAR2MMP1MMP2MMP9
SCHEMBL4648492 0.77 HCAR2 (0.46) HCAR3HCAR2MMP1MMP2MMP9
SCHEMBL4648305 0.75 HCAR3 (0.58) HCAR3HCAR2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP claimed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO claimed
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed