SCHEMBL9541540

SCHEMBL9541540

CCn1ccc(=O)c2cc(F)c(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL8813628 0.89 HTR2A (0.43) HTR2AHTR2CKMT2ALMNA
SCHEMBL29824050 0.89 HTR2A (0.43) HTR2AHTR2CKMT2ALMNA
SCHEMBL12877368 0.85 NR3C1 (0.37) LMNATHRB
SCHEMBL9593644 0.84 DRD3 (0.45) KMT2ALMNADRD3POLBHPGD
SCHEMBL8881987 0.79 HTR2A (0.37) HTR2AHTR2CRXFP1KMT2ALMNA
SCHEMBL4241160 0.79 DRD3 (0.60) KMT2ALMNADRD3POLBHPGD
SCHEMBL9358578 0.79 KMT2A (0.47) HTR2AHTR2CRXFP1KMT2ALMNA
SCHEMBL30539981 0.78 HSD17B10 (0.61) RXFP1KMT2ALMNADRD3POLB
SCHEMBL7262142 0.78 HSD17B10 (0.61) RXFP1KMT2ALMNADRD3POLB
SCHEMBL7290105 0.78 PGR (0.43) LMNAHPGDTHRBCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015084-A1 NOVEL CEPHALOSPORIN COMPOUNDS IL-DONG PHARM. CO., LTD. (KR) 1993-08-05 WO disclosed