SCHEMBL10187266

SCHEMBL10187266

C=CN(C)c1ccc(Br)cc1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.36
PYCR1 P32322 2/20 0.36
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL19657376 0.81 CCR5 (0.36) PYCR1ALDH1A1MAPK1LMNA
SCHEMBL14808309 0.77 HRH4 (0.41) HRH4PYCR1ALDH1A1MAPK1
SCHEMBL24897639 0.76 KDM4E (0.39) ALDH1A1KDM4ELMNA
SCHEMBL21396202 0.74 HRH4 (0.39) HRH4PYCR1ALDH1A1MAPK1LMNA
SCHEMBL29325027 0.73
SCHEMBL7534914 0.71 TSHR (0.39) ALDH1A1LMNA
SCHEMBL12486617 0.71 HRH4 (0.43) HRH4PYCR1ALDH1A1MAPK1KDM4E
SCHEMBL27706443 0.71 PYCR1 (0.40) HRH4PYCR1ALDH1A1KDM4ELMNA
SCHEMBL382259 0.68 ALDH1A1 (0.45) HRH4PYCR1ALDH1A1MAPK1KDM4E
SCHEMBL23914136 0.68 ALDH1A1 (0.37) ALDH1A1KDM4ELMNA

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-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed