SCHEMBL31489377

SCHEMBL31489377

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
SLC18A3 Q16572 1/20 0.43
QDPR P09417 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CCR1 P32246 4/20 0.38
RIPK1 Q13546 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ESRRG P62508 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GRM5 P41594 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL31488868 0.84 NAMPT (0.58) NAMPTSLC18A3QDPRCYP3A4CYP2C9
SCHEMBL2452371 0.80 KDM1A (0.48) NAMPTSLC18A3QDPRCYP3A4CYP2C9
SCHEMBL21526404 0.78 SLC18A3 (0.48) NAMPTSLC18A3QDPRCYP3A4CYP2C9
SCHEMBL31489002 0.78 NAMPT (0.61) NAMPTSLC18A3QDPRCYP3A4CYP2C9
SCHEMBL3080099 0.77 QDPR (0.62) SLC18A3QDPRCCR1KCNH2HRH3
SCHEMBL270733 0.76 NAMPT (0.60) NAMPT
SCHEMBL265000 0.76 SLC18A3 (0.51) NAMPTSLC18A3QDPRKCNH2HRH3
SCHEMBL25195359 0.75 DRD2 (0.48) SLC18A3ESRRG
SCHEMBL31488909 0.75 NAMPT (0.52) NAMPTCYP3A4CYP2C9CCR1
SCHEMBL3527556 0.74 TLR7 (0.47) NAMPTSLC18A3CYP3A4CYP2C9HRH3

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