SCHEMBL31515328

SCHEMBL31515328

CN1C(=O)C2(CC2)c2cc(C3CCCCN3)cc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 8/20 0.32
▸ OPRK1 P41145 7/20 0.32
▸ OPRM1 P35372 7/20 0.32
▸ OPRD1 P41143 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL31515190 0.86 MAP4K1 (0.37) OPRL1OPRK1OPRM1OPRD1MEN1
SCHEMBL31515326 0.82 — —
SCHEMBL31515199 0.77 EPHX2 (0.35) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL31515252 0.71 OPRK1 (0.39) OPRK1MEN1KMT2APOLB
SCHEMBL31515211 0.68 PGR (0.33) OPRL1OPRK1OPRM1
SCHEMBL31430268 0.68 PRMT5 (0.34) —
SCHEMBL31430428 0.66 EPHX2 (0.56) OPRL1OPRK1OPRM1MEN1CYP2D6
SCHEMBL24364091 0.65 CYP2D6 (0.47) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL2708321 0.64 SLC6A2 (0.58) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL22910976 0.64 SLC6A2 (0.58) MEN1CYP2D6CYP2C19KMT2APOLB

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-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 — — WO disclosed
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