SCHEMBL31560734

SCHEMBL31560734

O=C(NC1(CN2CCC2)CC1)C(F)(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.41
▸ CCR1 P32246 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM2 P08172 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL31560493 0.87 HDAC4 (0.43) HDAC4CCR1FAAHCHRM2CHRM1
SCHEMBL31560498 0.85 HDAC4 (0.41) HDAC4CCR1CHRM2CHRM1CHRM3
SCHEMBL31560561 0.85 HDAC4 (0.41) HDAC4CCR1CHRM2CHRM1CHRM3
SCHEMBL31560620 0.85 HDAC4 (0.41) HDAC4CCR1CHRM2CHRM1CHRM3
SCHEMBL31560740 0.82 HSD11B1 (0.42) HDAC4CCR1TRPA1CYP2D6LMNA
SCHEMBL31560753 0.82 HSD11B1 (0.42) HDAC4CCR1TRPA1CYP2D6LMNA
SCHEMBL31560629 0.80 ENPP2 (0.41) HDAC4ALDH1A1CYP2D6MAPK1
SCHEMBL31560478 0.80 ENPP2 (0.41) HDAC4ALDH1A1CYP2D6MAPK1
SCHEMBL31560737 0.79 NPSR1 (0.38) HDAC4ALDH1A1CYP2D6LMNAKMT2A
SCHEMBL31560523 0.79 ALDH1A1 (0.39) HDAC4ALDH1A1GAALMNAKMT2A

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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