SCHEMBL31527166

SCHEMBL31527166

COC(=O)[C@]12CCCN1CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
PPIA P62937 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRM1 P35372 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM1A O60341 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6816556 0.98 NPSR1 (0.41) NPSR1PPIAOPRL1OPRD1OPRM1
SCHEMBL16757411 0.94 NPSR1 (0.42) NPSR1PPIAOPRL1OPRD1OPRM1
SCHEMBL6816871 0.92 NPSR1 (0.44) NPSR1PPIAOPRL1OPRD1OPRM1
SCHEMBL31531562 0.90 OPRL1 (0.39) NPSR1PPIAOPRL1OPRD1OPRM1
SCHEMBL30590793 0.89 ALDH1A1 (0.43) ALDH1A1GAACYP2C19HTTLMNA
SCHEMBL232028 0.88 NPSR1 (0.39) NPSR1PPIAOPRL1OPRD1OPRM1
SCHEMBL2707689 0.81 HCN4 (0.40) NPSR1OPRL1OPRD1OPRM1ALDH1A1
SCHEMBL25435107 0.80 NPSR1 (0.33) NPSR1PPIAOPRL1OPRD1OPRM1
SCHEMBL6508506 0.80 CYP1A2 (0.37) NPSR1OPRL1OPRD1OPRM1ALDH1A1
SCHEMBL18588661 0.78 USP2 (0.36) NPSR1PPIAUSP2ALDH1A1CYP3A4

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-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed