SCHEMBL29786629

SCHEMBL29786629

NCc1c(F)cccc1OCC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.48
▸ HTR2C P28335 2/20 0.44
▸ DCPS Q96C86 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40

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
SCHEMBL20472479 1.00 MCHR1 (0.48) MCHR1HTR2CDCPSHTR2AHTR2B
SCHEMBL29786421 0.97 MCHR1 (0.48) MCHR1HTR2CDCPSHTR2AHTR2B
SCHEMBL20472614 0.97 MCHR1 (0.48) MCHR1HTR2CDCPSHTR2AHTR2B
SCHEMBL29786449 0.94 HTR2C (0.45) MCHR1HTR2CDCPSHTR2AHTR2B
SCHEMBL20472458 0.94 HTR2C (0.45) MCHR1HTR2CDCPSHTR2AHTR2B
SCHEMBL22957663 0.81 AXL (0.43) MCHR1HTR2CHTR2A
SCHEMBL29786587 0.80 HTR2A (0.41) MCHR1HTR2CHTR2AHTR2BPARP10
SCHEMBL20472323 0.80 HTR2A (0.41) MCHR1HTR2CHTR2AHTR2BPARP10
SCHEMBL18466652 0.80 MCHR1 (0.50) MCHR1PARP10
SCHEMBL22957809 0.79 RIPK1 (0.42) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113508109-B Substituted heterocyclic amide compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2023-02-10 — — CN disclosed
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 — — CN disclosed
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