SCHEMBL24180164

SCHEMBL24180164

Nc1c(F)cc(F)cc1OCC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.43
▸ CDK2 P24941 1/20 0.42
▸ MCHR1 Q99705 3/20 0.41
▸ PARP15 Q460N3 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ SCN9A Q15858 4/20 0.39
▸ SCN5A Q14524 1/20 0.38

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
SCHEMBL24180220 0.93 HTR2C (0.44) PARP10PARP15HTR2AHTR2CHTR2B
SCHEMBL29786587 0.81 HTR2A (0.41) PARP10CDK2MCHR1PARP15HTR2A
SCHEMBL20472323 0.81 HTR2A (0.41) PARP10CDK2MCHR1PARP15HTR2A
SCHEMBL24720454 0.79 PIM1 (0.39) PARP10PARP15HTR2AHTR2CHTR2B
SCHEMBL24499219 0.76 SCN9A (0.39) PARP10SCN9ASCN5A
SCHEMBL28331550 0.76 SCN9A (0.42) PARP10HTR2AHTR2CHTR2BSCN9A
SCHEMBL22069559 0.75 PARP10 (0.45) PARP10CDK2MCHR1PARP15HTR2A
SCHEMBL30286653 0.75 PARP10 (0.45) PARP10CDK2MCHR1HTR2AHTR2C
SCHEMBL24180070 0.75 PARP10 (0.43) PARP10MCHR1PARP15
SCHEMBL12261484 0.75 MCHR1 (0.49) PARP10CDK2MCHR1PARP15HTR2A

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
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 — — EP disclosed
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