SCHEMBL9712280

SCHEMBL9712280

CCCCCNC(=O)C1CNCCN1C(=O)NCCCCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.48
GNAO1 P09471 3/20 0.48
GNAI1 P63096 3/20 0.48
PRCP P42785 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NAAA Q02083 1/20 0.41
EPHX1 P07099 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL25022773 0.86 GNAI3 (0.48) GNAI3GNAO1GNAI1PRCPNPSR1
SCHEMBL25022737 0.86 GNAI3 (0.48) GNAI3GNAO1GNAI1PRCPNPSR1
SCHEMBL25021919 0.86 GNAI3 (0.48) GNAI3GNAO1GNAI1PRCPNPSR1
SCHEMBL25023038 0.82 GNAI3 (0.52) GNAI3GNAO1GNAI1PRCPNAAA
SCHEMBL25023495 0.82 GNAI3 (0.52) GNAI3GNAO1GNAI1PRCPNAAA
SCHEMBL10336963 0.82 CFD (0.37) NPSR1POLB
SCHEMBL30306891 0.80 GNAI3 (0.50) GNAI3GNAO1GNAI1PRCPNAAA
SCHEMBL18231595 0.79 CHRNB2 (0.44) GNAI3GNAO1GNAI1PRCPNPSR1
SCHEMBL25022230 0.79 GNAI3 (0.46) GNAI3GNAO1GNAI1PRCPNPSR1
SCHEMBL28968976 0.76 PRCP (0.67) PRCPNPSR1

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-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 WO disclosed