SCHEMBL3969872

SCHEMBL3969872

CCCNC(=O)C1CCCCN1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.69
TLR2 O60603 2/20 0.47
DPP7 Q9UHL4 1/20 0.47
HTR2C P28335 3/20 0.46
HTR2B P41595 1/20 0.46
KDM4E B2RXH2 2/20 0.45
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NAAA Q02083 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
DPP4 P27487 1/20 0.41
GRM4 Q14833 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40

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
SCHEMBL6360448 1.00 PRCP (0.69) PRCPTLR2DPP7HTR2CHTR2B
SCHEMBL6360674 1.00 PRCP (0.69) PRCPTLR2DPP7HTR2CHTR2B
Hydrochloric Acid SCHEMBL3268154 0.98 PRCP (0.68) PRCPTLR2DPP7HTR2CHTR2B
Hydrochloric Acid SCHEMBL6163226 0.98 PRCP (0.68) PRCPTLR2DPP7HTR2CHTR2B
SCHEMBL2794195 0.95 PRCP (0.77) PRCPTLR2DPP7HTR2CHTR2B
SCHEMBL3289136 0.95 PRCP (0.77) PRCPTLR2DPP7HTR2CHTR2B
Hydrochloric Acid SCHEMBL11337287 0.93 PRCP (0.74) PRCPTLR2DPP7HTR2CHTR2B
SCHEMBL9044288 0.90 PRCP (0.80) PRCPTLR2DPP7HTR2CHTR2B
SCHEMBL8602848 0.90 PRCP (0.80) PRCPTLR2DPP7HTR2CHTR2B
SCHEMBL6361143 0.89 PRCP (0.74) PRCPTLR2DPP7KDM4EEPHX1

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-2009044404-A1 PROCESS FOR THE PREPARATION OF (S)-ROPIVACAINE HYDROCHLORIDE MONOHYDRATE GOEL RAMNIWAS (IN) 2009-04-09 WO disclosed