SCHEMBL11014162

SCHEMBL11014162

CCCCCCCCCCCCCCCCCCNC1CCC(=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.56
GNAO1 P09471 2/20 0.56
GNAI1 P63096 2/20 0.56
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR5 Q9H228 1/20 0.45
SPHK1 Q9NYA1 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
GBA1 P04062 3/20 0.40
EPHX1 P07099 3/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL21047738 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL21047880 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL11004775 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL21047578 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL21047754 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL21047868 1.00 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL11294055 0.98 GNAI3 (0.53) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL21047707 0.92 GNAI3 (0.46) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL939870 0.84 DRD3 (0.42) GNAI3GNAO1GNAI1DRD2DRD3
SCHEMBL24210534 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1

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-4555537-A IMIDAZOLINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1985-11-26 US disclosed