SCHEMBL31117894

SCHEMBL31117894

CC(C)C[C@@H](Nc1ccc(Cl)cc1)C(=O)N1CCC(CNC(=O)CCl)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 8/20 0.48
▸ CCR2 P41597 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CACNA1B Q00975 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL31117882 1.00 CCR1 (0.48) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL23903522 0.82 CCR1 (0.53) CCR1ALOX5TRPV1
SCHEMBL23903518 0.82 CCR1 (0.53) CCR1ALOX5TRPV1
SCHEMBL31117972 0.80 CCR2 (0.48) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL31117778 0.80 CCR1 (0.47) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL31117841 0.80 CCR1 (0.47) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL31117998 0.78 NPC1 (0.45) CCR2NPC1RAB9AALOX5CNR1
SCHEMBL31117825 0.72 NPC1 (0.44) CCR2NPC1RAB9AALOX5CNR1
SCHEMBL31117936 0.71 NPC1 (0.43) CCR2NPC1RAB9AALOX5CNR1
SCHEMBL31117951 0.71 NPC1 (0.40) CCR2NPC1RAB9AALOX5CNR1

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
EP-4680343-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-21 — — EP disclosed
WO-2024192415-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-19 — — WO disclosed
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