SCHEMBL31560657

SCHEMBL31560657

COc1cccc(C2(C(=O)NC3(CN4CCC4)CC3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ELOVL1 Q9BW60 1/20 0.43
▸ OPRD1 P41143 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CCR8 P51685 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KDM2B Q8NHM5 2/20 0.40

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
SCHEMBL31560755 0.86 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31560520 0.85 HDAC4 (0.54) KMT2AMEN1ALDH1A1
SCHEMBL31560499 0.83 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ELOVL1ALDH1A1
SCHEMBL31560715 0.83 HSD11B1 (0.40) KMT2AMEN1ALDH1A1KDM2B
SCHEMBL31560749 0.82 HSD11B1 (0.50) KMT2AMEN1SMN1; SMN2ELOVL1ALDH1A1
SCHEMBL31560533 0.82 HDAC4 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL31560750 0.80 OPRL1 (0.45) SMN1; SMN2OPRD1OPRK1KDM4E
SCHEMBL31560746 0.80 TRPV1 (0.41) ALDH1A1
SCHEMBL31560530 0.80 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ELOVL1ALDH1A1
SCHEMBL31560526 0.78 HDAC4 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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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