SCHEMBL31489090

SCHEMBL31489090

O=C(Nc1ccc(C2CCNCC2)cc1)N1Cc2cccc(F)c2C1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.74
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
Hydrochloric Acid SCHEMBL31489118 0.99 NAMPT (0.73) NAMPTCYP3A4CYP2C9
SCHEMBL31488795 0.87 NAMPT (0.67) NAMPT
SCHEMBL3706789 0.86 NAMPT (1.00) NAMPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL31488970 0.86 NAMPT (0.54) NAMPTCYP3A4CYP2C9
SCHEMBL31489042 0.86 NAMPT (0.54) NAMPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL31488963 0.86 NAMPT (0.66) NAMPT
Hydrochloric Acid SCHEMBL31488952 0.84 NAMPT (0.64) NAMPT
SCHEMBL31489226 0.83 NAMPT (0.66) NAMPT
SCHEMBL31489028 0.83 NAMPT (0.57) NAMPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL31489044 0.83 NAMPT (0.65) 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