SCHEMBL3435817

SCHEMBL3435817

CCCCCNC1CCCNC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.43
OPRL1 P41146 1/20 0.39
PRCP P42785 1/20 0.38
EPHX1 P07099 11/20 0.38
CCR2 P41597 1/20 0.37
EPHX2 P34913 2/20 0.37

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
Hydrochloric Acid SCHEMBL27906655 0.88 OPRL1 (0.40) GNAI3GNAO1GNAI1OPRL1
SCHEMBL1114793 0.80 EPHX1 (0.64) PRCPEPHX1EPHX2
SCHEMBL24736431 0.79 OPRL1 (0.48) GNAI3GNAO1GNAI1OPRL1
SCHEMBL1114636 0.77 CCR2 (0.57) GNAI3GNAO1GNAI1CCR2
SCHEMBL13386883 0.77 GNAI3 (0.47) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL9980449 0.76 S1PR4 (0.46) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL1114595 0.76 PSEN1 (0.38) CCR2
SCHEMBL1114533 0.76 PSEN1 (0.38) CCR2
SCHEMBL1114672 0.76 CCR2 (0.60) GNAI3GNAO1GNAI1CCR2
SCHEMBL1114932 0.76 CCR2 (0.60) GNAI3GNAO1GNAI1CCR2

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-1781299-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2010-12-22 EP disclosed