SCHEMBL28612255

SCHEMBL28612255

Cn1nc2c(c1-c1ccccc1)CCN(C=O)C2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.53
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2B P41595 5/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL20184312 0.89 P2RX7 (0.43) P2RX7ALDH1A1MAPK1
SCHEMBL20184276 0.88 P2RX7 (0.49) P2RX7HTR2AHTR2CHTR2B
SCHEMBL18880721 0.84 P2RX7 (0.47) P2RX7
SCHEMBL21819349 0.80 P2RX7 (0.67) P2RX7IGF1R
SCHEMBL6294533 0.74 P2RX7 (0.54) P2RX7HTR2AHTR2CHTR2BALDH1A1
SCHEMBL11982661 0.73 P2RX7 (0.52) P2RX7ALDH1A1KDM4EMAPTMAPK1
SCHEMBL21863402 0.73 POLB (0.46) P2RX7HTR2AHTR2CHTR2BPARP1
SCHEMBL21818604 0.73 P2RX7 (0.59) P2RX7PARP1MAPK1
SCHEMBL29844044 0.72 HTR2A (0.39) P2RX7HTR2AHTR2CHTR2B
SCHEMBL21818614 0.70 P2RX7 (0.73) P2RX7

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-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 — — CN claimed
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