SCHEMBL31560729

SCHEMBL31560729

CC(C)(C(=O)NC1(CN2CCC2)CC1)c1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 9/20 0.37
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CACNA1I Q9P0X4 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL31560581 0.98 HDAC4 (0.39) HDAC4HPGDKDM4EFPR3FPR2
SCHEMBL31560752 0.89 LMNA (0.37) HDAC4KDM4EFPR3FPR2LMNA
SCHEMBL31560757 0.83 ALDH1A1 (0.40) HDAC4HPGDKDM4ELMNAPKM
SCHEMBL31560691 0.81 DRD2 (0.38) HDAC4HPGDLMNAPKMALDH1A1
SCHEMBL31560599 0.81 HDAC4 (0.38) HDAC4HPGDKDM4EFPR3FPR2
SCHEMBL31560492 0.81 NPC1 (0.39) HDAC4HPGDLMNAALDH1A1MEN1
SCHEMBL31560534 0.80 HDAC4 (0.41) HDAC4HPGDKDM4ELMNAPKM
SCHEMBL31560515 0.80 TRPV1 (0.39) HDAC4ALDH1A1
SCHEMBL31560721 0.79 HDAC4 (0.41) HDAC4KDM4EALDH1A1KCNH2CACNA1I
SCHEMBL31560753 0.78 HSD11B1 (0.42) HDAC4LMNAKMT2A

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
Send feedback