SCHEMBL31737759

SCHEMBL31737759

COc1ccc([C@H](NC(=O)NCc2ccc(N)cc2)C(=O)N2CCCN2c2ccccc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 4/20 0.46
▸ PPIA P62937 1/20 0.46
▸ CASR P41180 1/20 0.41
▸ PPID Q08752 5/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ PPIG Q13427 3/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL31737934 0.90 PPIB (0.52) PPIBPPIAPPIDPPIG
SCHEMBL31738253 0.90 PPIB (0.52) PPIBPPIAPPIDPPIG
SCHEMBL31738169 0.90 PPIB (0.52) PPIBPPIAPPIDPPIG
SCHEMBL31737997 0.89 PPIB (0.46) PPIBPPIAPPIDPPIGNPC1
SCHEMBL31737964 0.87 PPIB (0.41) PPIBPPIAPPIDPPIG
SCHEMBL31738072 0.85 PPIB (0.40) PPIBPPIAPPIDPPIGLMNA
SCHEMBL31737986 0.85 HTR1A (0.43) PPIBPPIASMN1; SMN2ALDH1A1
SCHEMBL31737551 0.85 PPIB (0.42) PPIBPPIAPPIDPPIG
SCHEMBL31738176 0.84 PPIB (0.39) PPIBPPIAPPIDPPIG
SCHEMBL31738031 0.82 PPIB (0.46) PPIBPPIAPPIDPPIG

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-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO claimed
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO disclosed
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