SCHEMBL31489042

SCHEMBL31489042

O=C(O)C1CCC(c2ccc(NC(=O)N3Cc4cccc(F)c4C3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.54
DGAT1 O75907 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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 SCHEMBL31488970 0.87 NAMPT (0.54) NAMPTCYP3A4CYP2C9
SCHEMBL31488821 0.86 NAMPT (0.52) NAMPT
SCHEMBL31489090 0.86 NAMPT (0.74) NAMPTCYP3A4CYP2C9
SCHEMBL31488995 0.85 NAMPT (0.47) NAMPT
SCHEMBL31489024 0.85 NAMPT (0.58) NAMPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL31489118 0.85 NAMPT (0.73) NAMPTCYP3A4CYP2C9
SCHEMBL31489028 0.82 NAMPT (0.57) NAMPTCYP3A4CYP2C9
SCHEMBL31489116 0.81 NAMPT (0.55) NAMPTCYP3A4CYP2C9
SCHEMBL31488948 0.81 NAMPT (0.77) NAMPTCYP3A4CYP2C9
SCHEMBL31488947 0.80 NAMPT (0.59) NAMPTCYP3A4CYP2C9

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