SCHEMBL6318950

SCHEMBL6318950

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(c2ccccc2NS(C)(=O)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.54
GLP1R P43220 7/20 0.41
PTPN1 P18031 2/20 0.41
AMY1A P0DUB6 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4703222 0.91 TACR1 (0.57) TACR1GLP1RKMT2A
SCHEMBL4521193 0.89 TACR1 (0.53) TACR1GLP1RPTPN1KMT2A
SCHEMBL4698287 0.85 TACR1 (0.63) TACR1MAPK1KMT2A
SCHEMBL4699883 0.84 MCL1 (0.41) TACR1PTPN1MAPK1KMT2AHDAC8
SCHEMBL6318956 0.83 TACR1 (0.54) TACR1
SCHEMBL4699880 0.83 MAPK1 (0.44) MAPK1KMT2AHDAC8
SCHEMBL4698359 0.83 MCL1 (0.41) TACR1MAPK1KMT2A
SCHEMBL4701927 0.83 MC4R (0.43) MAPK1KMT2A
SCHEMBL4701772 0.83 MC4R (0.45) MAPK1KMT2A
SCHEMBL4699046 0.82 MAPK1 (0.43) PTPN1MAPK1KMT2A

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
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed