SCHEMBL8024014

SCHEMBL8024014

NC(CC(=O)N1CCCc2ccccc21)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
GAA P10253 2/20 0.50
NOTUM Q6P988 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8017767 0.83 OPRM1 (0.60) GRM7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8017685 0.81 OPRM1 (0.64) GRM7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19910587 0.78 NOTUM (0.63) GRM7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18823655 0.77 GRM7 (0.62) GRM7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3089154 0.76 SMN1; SMN2 (0.68) GRM7SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL30253474 0.76 SMN1; SMN2 (0.68) GRM7SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL8024012 0.76 OPRM1 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL19910611 0.76 GRM7 (0.60) GRM7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8017929 0.75 TSHR (0.51) SMN1; SMN2MEN1KMT2AALDH1A1OPRM1
Bromide SCHEMBL8668237 0.74 SMN1; SMN2 (0.66) GRM7SMN1; SMN2ALDH1A1KDM4EPOLB

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-6114381-A TO CONTROL BRAIN DAMAGE ASSOCIATED WITH ANOXIA OR ISCHEMIA WHICH TYPICALLY FOLLOWS STROKE, CARDIAC ARREST OR PERINATAL ASPHYXIA; COMPOUND IS AN ANTAGONIST TO INHIBIT EXCITOTOXIC ACTIONS AT EXCITATORY AMINO ACID RECEPTOR SITES G. D. SEARLE & CO. (US) 2000-09-05 US disclosed