SCHEMBL4013663

SCHEMBL4013663

CC(=O)C(Cc1ccc(Cl)cc1)C(=O)C1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
CTSC P53634 5/20 0.42
DPP4 P27487 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GHSR Q92847 3/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2B P41595 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
CTSK P43235 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3773871 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL15454448 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL21883031 0.72 CTSC (0.50) HTR2CCTSCDPP4SLC6A2SLC6A4
SCHEMBL5774507 0.72 PPARG (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL3843710 0.72 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL13769699 0.71 HTR2C (0.47) HTR2CHTR2B
SCHEMBL14304107 0.71 CCR1 (0.49) HTR2CGHSR
SCHEMBL3516893 0.71 POLB (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL7546748 0.70 HTR2C (0.77) HTR2CHTR2B
SCHEMBL15126141 0.70 HTR2C (0.77) HTR2CHTR2B

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-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed