SCHEMBL21332232

SCHEMBL21332232

COc1ccc(C2CN(c3ccccc3)CCC2NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 12/20 0.67
▸ FPR2 P25090 10/20 0.67
▸ ALDH1A1 P00352 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ CNR1 P21554 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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 0.95 FPR1 (0.70) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21332387 0.95 FPR1 (0.70) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21341984 0.91 FPR1 (0.72) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21332102 0.91 FPR1 (0.72) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21332017 0.91 FPR2 (0.65) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21332100 0.91 FPR1 (0.72) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21342554 0.91 FPR2 (0.65) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21332135 0.91 FPR2 (0.65) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21342318 0.90 FPR1 (0.69) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL21332277 0.90 FPR1 (0.69) FPR1FPR2ALDH1A1MEN1KMT2A

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