SCHEMBL31560746

SCHEMBL31560746

O=C(NC1(CN2CCC2)CC1)C1(c2cccc(Cl)c2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.41
▸ EP300 Q09472 5/20 0.41
▸ CREBBP Q92793 5/20 0.41
▸ IDO1 P14902 3/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HDAC4 P56524 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL31560715 0.96 HSD11B1 (0.40) TRPV1EP300CREBBPIDO1KCNH2
SCHEMBL31560533 0.86 HDAC4 (0.56) HDAC4ALDH1A1HSD11B1
SCHEMBL31560530 0.86 ALDH1A1 (0.43) TRPV1IDO1KCNH2HDAC4ALDH1A1
SCHEMBL31560575 0.85 HDAC4 (0.52) HDAC4ALDH1A1HSD11B1
SCHEMBL31560526 0.85 HDAC4 (0.50) HDAC4ALDH1A1FTOHSD11B1
SCHEMBL31560520 0.82 HDAC4 (0.54) HDAC4ALDH1A1HSD11B1
SCHEMBL31560499 0.82 ALDH1A1 (0.44) TRPV1KCNH2HDAC4ALDH1A1SLC6A4
SCHEMBL31560707 0.82 HSD11B1 (0.52) HDAC4ALDH1A1HSD11B1
SCHEMBL31560749 0.81 HSD11B1 (0.50) HDAC4ALDH1A1HSD11B1
SCHEMBL31560772 0.80 HDAC4 (0.53) HDAC4ALDH1A1FTOSLC6A4

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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