SCHEMBL23903522

SCHEMBL23903522

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 13/20 0.53
▸ TRPV1 Q8NER1 1/20 0.45
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23903518 1.00 CCR1 (0.53) CCR1TRPV1CTSLCTSBCTSK
SCHEMBL23903537 0.88 CCR1 (0.50) CCR1TRPV1CTSLCTSBCTSK
SCHEMBL25442302 0.86 CCR1 (0.41) CCR1TRPV1CTSLCTSBCTSK
SCHEMBL25442300 0.86 CCR1 (0.41) CCR1TRPV1CTSLCTSBCTSK
SCHEMBL31117894 0.82 CCR1 (0.48) CCR1TRPV1ALOX5
SCHEMBL31117882 0.82 CCR1 (0.48) CCR1TRPV1ALOX5
SCHEMBL25443149 0.82 CCR1 (0.46) CCR1TRPV1
SCHEMBL25442292 0.79 CCR1 (0.53) CCR1TRPV1CTSLCTSBCTSK
SCHEMBL25442294 0.79 CCR1 (0.53) CCR1TRPV1CTSLCTSBCTSK
SCHEMBL11198311 0.73 ALDH1A1 (0.57) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 — — WO disclosed
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