SCHEMBL9960736

SCHEMBL9960736

COc1ccc(CN2CCC=C(C(C)O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGIR P43119 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
COMT P21964 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CHKA P35790 1/20 0.42
DRD4 P21917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL13400321 0.83 SIGMAR1 (0.46) SIGMAR1POLBPKMSMN1; SMN2LMNA
SCHEMBL9959925 0.76 SIGMAR1 (0.39) SIGMAR1POLBPKMSMN1; SMN2PTGIR
SCHEMBL19077903 0.76 ALDH1A1 (0.46) SIGMAR1POLBSMN1; SMN2HTTDRD4
SCHEMBL25341634 0.75 SIGMAR1 (0.51) SIGMAR1POLBPKMSMN1; SMN2PTGIR
SCHEMBL17356897 0.73 HDAC1 (0.51) SIGMAR1PKM
SCHEMBL979576 0.73 SIGMAR1 (0.69) SIGMAR1POLBPKMSMN1; SMN2PTGIR
SCHEMBL24688131 0.73 COMT (0.49) SIGMAR1POLBPKMSMN1; SMN2PTGIR
SCHEMBL1043952 0.72 SIGMAR1 (0.85) SIGMAR1POLBPKMSMN1; SMN2PTGIR
SCHEMBL20804352 0.72 SIGMAR1 (0.85) SIGMAR1POLBPKMSMN1; SMN2PTGIR
SCHEMBL19285228 0.72 SIGMAR1 (0.85) SIGMAR1POLBPKMSMN1; SMN2PTGIR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012088402-A1 SYNTHESIS OF CONOLIDINE AND DISCOVERY OF A POTENT NON-OPIOID ANALGESIC FOR PAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2012-06-28 WO disclosed
WO-2012088402-A1 SYNTHESIS OF CONOLIDINE AND DISCOVERY OF A POTENT NON-OPIOID ANALGESIC FOR PAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2012-06-28 WO disclosed