SCHEMBL9720704

SCHEMBL9720704

CC(C)(C)c1cccc(C(c2cccc(C(C)(C)C)c2)N2CCN(Cc3ccc(O)cc3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.69
ADORA3 P0DMS8 2/20 0.59
CNR1 P21554 2/20 0.59
HRH1 P35367 2/20 0.59
OPRK1 P41145 2/20 0.59
KCNH2 Q12809 2/20 0.59
GHSR Q92847 2/20 0.59
LMNA P02545 2/20 0.59
NR1I2 O75469 1/20 0.59
PDE4D Q08499 1/20 0.59
ATM Q13315 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPN P05981 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL9720869 0.85 KCNH2 (0.71) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9720767 0.84 KCNH2 (0.61) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9720741 0.82 OPRD1 (0.55) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9881223 0.81 OPRD1 (1.00) OPRD1ADORA3CNR1HRH1OPRK1
Hydrochloric Acid SCHEMBL2194307 0.81 OPRD1 (0.98) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9720680 0.81 SIGMAR1 (0.54) OPRD1LMNAATMMEN1KMT2A
Belarizine SCHEMBL2108057 0.80 ATM (0.73) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9720688 0.75 OPRD1 (0.50) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9720683 0.75 ATM (0.54) OPRD1ADORA3CNR1HRH1OPRK1
SCHEMBL9720751 0.74 KCNH2 (0.71) OPRD1ADORA3CNR1HRH1OPRK1

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed