SCHEMBL29844044

SCHEMBL29844044

Cn1nc2c(c1-c1ccc(C(F)(F)F)cc1)CN(C=O)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ P2RX7 Q99572 3/20 0.38
▸ TDP2 O95551 1/20 0.37
▸ PDE2A O00408 6/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM1A O60341 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
SCHEMBL29844019 0.80 KCNK3 (0.40) P2RX7TDP2BRD4CREBBPSIGMAR1
SCHEMBL28818532 0.79 P2RX7 (0.46) HTR2AHTR2CHTR2BP2RX7TDP2
SCHEMBL20184276 0.74 P2RX7 (0.49) HTR2AHTR2CHTR2BP2RX7
SCHEMBL29844133 0.74 C5AR1 (0.46) P2RX7GRM5BRD4CREBBPKDM2B
SCHEMBL20184312 0.73 P2RX7 (0.43) P2RX7GRM5CREBBP
Hydrochloric Acid SCHEMBL29844125 0.72 HTR2C (0.46) HTR2AHTR2CHTR2BTDP2PDE2A
SCHEMBL28612255 0.72 P2RX7 (0.53) HTR2AHTR2CHTR2BP2RX7
SCHEMBL30045599 0.70 P2RX7 (0.40) P2RX7PDE2AGRM5BRD4CREBBP
Hydrochloric Acid SCHEMBL31163475 0.69 HTR2C (0.58) HTR2AHTR2CHTR2B
SCHEMBL23577483 0.68 P2RX7 (0.40) P2RX7BRD4CREBBPKDM2BKDM4C

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-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN claimed
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN disclosed
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