SCHEMBL21332387

SCHEMBL21332387

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

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 14/20 0.70
▸ FPR2 P25090 12/20 0.70
▸ MAPT P10636 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL21332085 1.00 FPR1 (0.70) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21332017 0.95 FPR2 (0.65) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21342554 0.95 FPR2 (0.65) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21332135 0.95 FPR2 (0.65) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21332232 0.95 FPR1 (0.67) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21341984 0.93 FPR1 (0.72) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21332100 0.93 FPR1 (0.72) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21332102 0.93 FPR1 (0.72) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21331985 0.91 FPR1 (0.69) FPR1FPR2MAPTMEN1ALDH1A1
SCHEMBL21341985 0.91 FPR1 (0.69) FPR1FPR2MAPTMEN1ALDH1A1

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
Send feedback