SCHEMBL28291020

SCHEMBL28291020

Brc1ccc2c(c1)CCN(C1CCNC1)C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.43
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PNMT P11086 1/20 0.40
CYP2D6 P10635 1/20 0.38
HSD17B3 P37058 2/20 0.36
CARM1 Q86X55 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL18227698 0.94 PNMT (0.43) ASIC3HTR2CHTR2BHTR2AHRH3
SCHEMBL26963045 0.92 HRH3 (0.47) ASIC3HTR2CHTR2BHTR2AHRH3
SCHEMBL30658395 0.88 ASIC3 (0.44) ASIC3HTR2CHTR2BHTR2AHRH3
SCHEMBL26963061 0.88 ASIC3 (0.44) ASIC3HTR2CHTR2BHTR2AHRH3
SCHEMBL22860678 0.83 HTR2C (0.46) HTR2CHTR2BHTR2AHRH3CYP2D6
SCHEMBL29501433 0.81 SLC18A3 (0.50) HTR2CHTR2BHTR2ATAAR1
SCHEMBL28587390 0.78 CARM1 (0.41) ASIC3HRH3HSD17B3CARM1NOS3
SCHEMBL4573212 0.77 CARM1 (0.42) HRH3PNMTHSD17B3CARM1ABHD6
SCHEMBL29041981 0.77 PRMT5 (0.39) ASIC3HRH3HSD17B3CARM1ABHD6
SCHEMBL13139628 0.76 HRH3 (0.39) HTR2CHTR2BHRH3CYP2D6

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-109810111-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-10-27 CN disclosed
CN-109810111-A A kind of pyrazolone miazines compound, preparation method and application 上海医药集团股份有限公司 2019-05-28 CN disclosed