SCHEMBL4648632

SCHEMBL4648632

O=C(O)c1cc(N(Cc2ccccc2F)Cc2ccccc2F)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.61
HCAR2 Q8TDS4 7/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RIPK1 Q13546 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.38
DAO P14920 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4621634 0.81 HCAR2 (0.56) HCAR3HCAR2DAO
SCHEMBL4648492 0.78 HCAR2 (0.46) HCAR3HCAR2DAO
SCHEMBL4647131 0.77 HCAR2 (0.62) HCAR3HCAR2MEN1KMT2ARIPK1
SCHEMBL15964774 0.76 HCAR2 (0.66) HCAR3HCAR2
SCHEMBL4648180 0.75 KDM4C (0.45) HCAR3HCAR2MEN1KMT2AMAPT
SCHEMBL4648305 0.73 HCAR3 (0.58) HCAR3HCAR2MEN1KMT2ADAO
SCHEMBL4648283 0.73 HCAR3 (0.61) HCAR3HCAR2MEN1KMT2AMAPT
SCHEMBL4648872 0.72 HCAR3 (0.64) HCAR3HCAR2MEN1KMT2A
SCHEMBL4648554 0.70 HCAR3 (0.61) HCAR3HCAR2MEN1KMT2ADAO
SCHEMBL4648485 0.70 HCAR2 (0.61) HCAR3HCAR2MEN1KMT2ADAO

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