SCHEMBL31439148

SCHEMBL31439148

[Li]c1cc2ccccc2n1N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ SIGMAR1 Q99720 5/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MCOLN3 Q8TDD5 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ DAO P14920 1/20 0.30

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
SCHEMBL7079238 0.73 DAO (0.56) TSHRDAO
SCHEMBL7416957 0.70 CA12 (0.48) KMT2AMCOLN3TSHRMAPT
SCHEMBL5166276 0.70 NPC1 (0.43) HTR2AHTR2CNOTUMSIGMAR1KMT2A
SCHEMBL3166118 0.66 KMT2A (0.53) KMT2AMAPTDAO
SCHEMBL5903667 0.63 HTR2A (0.47) HTR2AHTR2CSIGMAR1HRH3TSHR
SCHEMBL8087820 0.63 CDK4 (0.42) HTR2AHTR2CNOTUMKMT2ATSHR
SCHEMBL3717533 0.62 CDK4 (0.41) NOTUMKMT2ATSHR
SCHEMBL29548539 0.60 HTR2A (0.62) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL29521056 0.60 RECQL (0.41) KMT2ATSHRMAPT
SCHEMBL669577 0.60 HTR2A (0.62) HTR2AHTR2CNOTUMSIGMAR1

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
CN-119930875-A Composite catalyst and preparation method of cycloolefin copolymer using same 金发科技股份有限公司 2025-05-06 — — CN disclosed
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