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Sugi Predict / Compounds / SCHEMBL21332135

SCHEMBL21332135

SCHEMBL21332135

COc1ccc([C@@H]2CN(c3ccc(F)cc3)CC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 14/20 0.65
▸ FPR1 P21462 13/20 0.65
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL21342554 1.00 FPR2 (0.65) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21332017 1.00 FPR2 (0.65) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21332085 0.95 FPR1 (0.70) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21332387 0.95 FPR1 (0.70) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21332232 0.91 FPR1 (0.67) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21341984 0.89 FPR1 (0.72) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21333912 0.89 FPR2 (0.60) FPR2FPR1
SCHEMBL21332102 0.89 FPR1 (0.72) FPR2FPR1MEN1ALDH1A1LMNA
SCHEMBL21331928 0.89 FPR2 (0.60) FPR2FPR1
SCHEMBL21332100 0.89 FPR1 (0.72) FPR2FPR1MEN1ALDH1A1LMNA

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-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 — — WO disclosed
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