SCHEMBL27913508

SCHEMBL27913508

CC(NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NC(CO)C(=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)[C@@H]1CCCN1C(=O)C(N)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.46
▸ GRB2 P62993 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ OPRM1 P35372 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ACE P12821 2/20 0.39
▸ REN P00797 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ BDKRB2 P30411 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 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
SCHEMBL27913502 0.90 CAPN1 (0.43) CAPN1GRB2CTSBOPRM1DPP4
SCHEMBL29394895 0.83 CAPN1 (0.49) CAPN1GRB2CTSBOPRM1ACE
SCHEMBL30547998 0.83 CAPN1 (0.48) CAPN1CTSB
SCHEMBL31218906 0.82 GRB2 (0.51) CAPN1GRB2CTSBOPRM1ACE
SCHEMBL31042468 0.82 OPRM1 (0.42) CAPN1GRB2OPRM1ACEREN
SCHEMBL29760981 0.81 CAPN1 (0.57) CAPN1GRB2CTSBOPRM1OPRD1
SCHEMBL32677766 0.81 CAPN1 (0.48) CAPN1CTSBOPRM1BDKRB2OPRD1
SCHEMBL32677764 0.81 CAPN1 (0.48) CAPN1CTSBOPRM1BDKRB2OPRD1
SCHEMBL31696320 0.81 CTSD (0.45) CAPN1GRB2OPRM1DPP4FAP
SCHEMBL29511963 0.80 ACE (0.46) CAPN1GRB2OPRM1DPP4FAP

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
CN-103221410-A GPR119 receptor modulators and treatment of disorders related thereto ARENA PHARM INC 2013-07-24 — — CN disclosed
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