SCHEMBL31560737

SCHEMBL31560737

COC(C)(C(=O)NC1(CN2CCC2)CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ NPFFR1 Q9GZQ6 1/20 0.36
▸ NPFFR2 Q9Y5X5 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ OPRL1 P41146 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ TAS2R8 Q9NYW2 1/20 0.35

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
SCHEMBL31560740 0.86 HSD11B1 (0.42) NPSR1OPRM1SIGMAR1CYP2D6KMT2A
SCHEMBL31560753 0.86 HSD11B1 (0.42) NPSR1OPRM1SIGMAR1CYP2D6KMT2A
SCHEMBL31560632 0.85 NPSR1 (0.36) NPSR1OPRM1SIGMAR1CYP2D6ALDH1A1
SCHEMBL31560620 0.84 HDAC4 (0.41) NPSR1OPRM1SIGMAR1CYP2D6ALDH1A1
SCHEMBL31560561 0.84 HDAC4 (0.41) NPSR1OPRM1SIGMAR1CYP2D6ALDH1A1
SCHEMBL31560498 0.84 HDAC4 (0.41) NPSR1OPRM1SIGMAR1CYP2D6ALDH1A1
SCHEMBL31560478 0.84 ENPP2 (0.41) OPRM1SIGMAR1CYP2D6ALDH1A1HDAC4
SCHEMBL31560629 0.84 ENPP2 (0.41) OPRM1SIGMAR1CYP2D6ALDH1A1HDAC4
SCHEMBL31560493 0.81 HDAC4 (0.43) OPRM1ALDH1A1KMT2AHDAC4LMNA
SCHEMBL31560734 0.79 HDAC4 (0.41) CYP2D6ALDH1A1KMT2AHDAC4MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 — — WO claimed
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 — — WO disclosed
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