SCHEMBL9053676

SCHEMBL9053676

N#Cc1ccccc1N1CNCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRL1 P41146 3/20 0.41
GRM2 Q14416 1/20 0.40
HTR1A P08908 3/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 2/20 0.35
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR7 P34969 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL20140061 0.84 HTR2C (0.40) OPRM1OPRL1GRM2HTR1AADRA1A
Hydrochloric Acid SCHEMBL1583458 0.83 OPRM1 (0.39) OPRM1OPRL1GRM2HTR1AADRA1A
SCHEMBL2530710 0.75 RXFP1 (0.43) OPRM1OPRL1GRM2HTR1AADRA1A
SCHEMBL6474586 0.73 OPRM1 (0.46) OPRM1OPRL1GRM2HTR1AADRA1A
SCHEMBL7400751 0.72 SCN9A (0.43) OPRM1OPRL1GRM2HTR1AADRA1A
SCHEMBL5667100 0.72 ALDH1A1 (0.49) OPRM1OPRL1GRM2HTR1AADRA1A
SCHEMBL7093301 0.71 HTR2C (0.40) HTR1AADRA1AADRA1BNOTUM
SCHEMBL10817746 0.70 KMT2A (0.48) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2530053 0.68 GRM2 (0.45) OPRM1OPRL1GRM2HTR1AADRA1A
SCHEMBL233169 0.67 ADRB1 (0.58) HTR1AKDM4EDRD2ALDH1A1HPGD

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-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed