SCHEMBL8914296

SCHEMBL8914296

CCCCCCCNC(=O)[C@@H](N)Cc1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.55
RRM1 P23921 1/20 0.55
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
S1PR2 O95136 2/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR5 Q9H228 1/20 0.49
SPHK1 Q9NYA1 1/20 0.48
NAAA Q02083 2/20 0.48
GRIA1 P42261 1/20 0.47

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
SCHEMBL17941639 0.89 GRIA1 (0.57) DPP7RRM1GRIA1
SCHEMBL17941640 0.89 GRIA1 (0.57) DPP7RRM1GRIA1
SCHEMBL29129460 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL8914221 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL8913994 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL12555472 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL3159222 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL8914559 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17941646 0.87 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17941645 0.87 NAAA (0.59) 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
US-5654451-A GUANIDINE AND/OR NITROGUANIDINE-CONTAINING BIS/DI- OR TRIPEPTIDES/ COUPLED BY A DIAMINE; VIRICIDES; ANTIPROTOZOA AGENTS; FUNGICIDES; PARASITICIDES; DRUG DELIVERY; MEMBRANE TRANSPORTATION MAGAININ PHARMACEUTICALS INC. (US) 1997-08-05 US disclosed