SCHEMBL21332102

SCHEMBL21332102

COc1ccc([C@@H]2CN(c3ccncc3)CC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 15/20 0.72
▸ FPR2 P25090 13/20 0.72
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL21332100 1.00 FPR1 (0.72) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21341984 1.00 FPR1 (0.72) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21332387 0.93 FPR1 (0.70) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21332085 0.93 FPR1 (0.70) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21331940 0.91 FPR1 (0.87) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21341960 0.91 FPR1 (0.87) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21333912 0.91 FPR2 (0.60) FPR1FPR2
SCHEMBL21331928 0.91 FPR2 (0.60) FPR1FPR2
SCHEMBL21332232 0.91 FPR1 (0.67) FPR1FPR2MEN1ALDH1A1LMNA
SCHEMBL21342318 0.90 FPR1 (0.69) FPR1FPR2MEN1ALDH1A1LMNA

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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