SCHEMBL7437765

SCHEMBL7437765

NC(=O)[C@H](Cc1ccccc1)Cc1cscn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 8/20 0.51
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.43
SLC6A3 Q01959 1/20 0.43
REN P00797 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CAPN1 P07384 1/20 0.41
CPA1 P15085 2/20 0.41
CPA3 P15088 2/20 0.41
FOLH1 Q04609 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41

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
SCHEMBL7280731 0.88 CYP1A2 (0.61) GPR142CYP1A2SLC6A3SLC1A3SLC1A2
SCHEMBL5052372 0.79 CYP1A2 (0.68) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL9079440 0.79 DPP4 (0.38) GPR142SLC6A3CAPN1
SCHEMBL9079444 0.79 DPP4 (0.38) GPR142SLC6A3CAPN1
SCHEMBL7293701 0.79 REN (0.48) GPR142REN
SCHEMBL5862043 0.78 PTPRA (0.55) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL24533871 0.74 CTSL (0.50) GPR142
SCHEMBL5273058 0.73 DPP4 (0.49) GPR142SLC6A3CAPN1FOLH1
SCHEMBL7401594 0.73 DPP4 (0.49) GPR142SLC6A3CAPN1FOLH1
SCHEMBL5207691 0.73 DPP4 (0.49) GPR142SLC6A3CAPN1FOLH1

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
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed