SCHEMBL31495468

SCHEMBL31495468

COc1ccc(CN2CC3CNCCN3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ HTR2C P28335 6/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ MMP1 P03956 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ HTR6 P50406 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL30713220 0.99 GAA (0.47) GAAHTR2CHTR2BHTR2AMMP1
Hydrochloric Acid SCHEMBL31570652 0.99 GAA (0.47) GAAHTR2CHTR2BHTR2AMMP1
SCHEMBL29516262 0.83 SIGMAR1 (0.47) HTR2CHTR2BHTR2ACHRM2CHRM3
Hydrochloric Acid SCHEMBL3602646 0.82 SIGMAR1 (0.46) HTR2CHTR2BHTR2ACHRM2CHRM3
SCHEMBL20942315 0.81 ENPP2 (0.43) HTR2CHTR2BHTR2ADPP4
SCHEMBL17062837 0.81 F10 (0.42) GAAHTR2CHTR2BHTR2ADPP4
SCHEMBL25043915 0.78 SMN1; SMN2 (0.53) GAAMMP1MMP13GRM2CMA1
SCHEMBL20616288 0.78 F10 (0.40) GAAHTR2CHTR2BHTR2AMMP1
SCHEMBL20616290 0.78 F10 (0.40) GAAHTR2CHTR2BHTR2AMMP1
SCHEMBL27106825 0.77 DPP4 (0.46) GAAMMP1MMP13GRM2CMA1

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-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 — — EP disclosed
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