SCHEMBL31489002

SCHEMBL31489002

CC(C)(O)CC(=O)N1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
SLC18A3 Q16572 1/20 0.43
TLR9 Q9NR96 6/20 0.41
TLR8 Q9NR97 6/20 0.41
TLR7 Q9NYK1 6/20 0.41
QDPR P09417 2/20 0.40
GRM5 P41594 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3527556 0.83 TLR7 (0.47) NAMPTCYP3A4CYP2C9SLC18A3TLR9
SCHEMBL31488868 0.81 NAMPT (0.58) NAMPTCYP3A4CYP2C9SLC18A3TLR9
SCHEMBL21526404 0.81 SLC18A3 (0.48) NAMPTCYP3A4CYP2C9SLC18A3TLR9
SCHEMBL14320271 0.79 TLR9 (0.46) NAMPTCYP3A4CYP2C9SLC18A3TLR9
SCHEMBL31489377 0.78 NAMPT (0.44) NAMPTCYP3A4CYP2C9SLC18A3QDPR
SCHEMBL3080099 0.77 QDPR (0.62) SLC18A3QDPRKDM1AMAOB
SCHEMBL16255594 0.77 KDM1A (0.45) NAMPTCYP3A4CYP2C9SLC18A3QDPR
SCHEMBL14320559 0.77 KDM1A (0.45) NAMPTCYP3A4CYP2C9SLC18A3TLR9
SCHEMBL24685992 0.76 NAMPT (0.55) NAMPTCYP3A4CYP2C9
SCHEMBL270733 0.76 NAMPT (0.60) NAMPT

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
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed