SCHEMBL19919650

SCHEMBL19919650

CCCNC(=O)C(N)C(C)CC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
DPP7 Q9UHL4 5/20 0.42
DPP4 P27487 5/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
RRM1 P23921 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
FAP Q12884 1/20 0.36

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
SCHEMBL8533422 1.00 TERT (0.43) TERTUSP2TSHRDPP7DPP4
SCHEMBL10448381 0.89 DPP7 (0.51) TERTUSP2TSHRDPP7RRM1
SCHEMBL3666708 0.86 USP2 (0.47) TERTUSP2TSHRDPP7DPP4
SCHEMBL14593722 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10548785 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10551440 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL5867316 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL5867315 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10551446 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10548780 0.85 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1

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-2018039641-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES PHARMATROPHIX, INC. (US) 2018-03-01 WO disclosed