SCHEMBL9720740

SCHEMBL9720740

Cc1ccccc1C(c1ccccc1C)N1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
DRD4 P21917 1/20 0.48
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
NR1I2 O75469 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CNR1 P21554 1/20 0.43
HRH1 P35367 1/20 0.43
PDE4D Q08499 1/20 0.43
GHSR Q92847 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL9720772 0.84 OPRM1 (0.50) ATMDRD4OPRD1OPRK1OPRM1
SCHEMBL9720646 0.84 ALDH1A1 (0.54) ATMDRD4OPRD1OPRK1OPRM1
SCHEMBL9720688 0.83 OPRD1 (0.50) ATMDRD4OPRD1OPRK1LMNA
Belarizine SCHEMBL2108057 0.80 ATM (0.73) ATMDRD4OPRD1OPRK1OPRM1
SCHEMBL9720683 0.77 ATM (0.54) ATMDRD4OPRD1OPRK1OPRM1
SCHEMBL9720767 0.76 KCNH2 (0.61) ATMDRD4OPRD1OPRK1OPRM1
SCHEMBL18177896 0.75 ATM (0.64) ATMDRD4
SCHEMBL9720752 0.75 DRD4 (0.77) DRD4LMNAPOLBKMT2A
SCHEMBL5428090 0.74 DRD4 (0.63) DRD4LMNAPOLB
SCHEMBL9720751 0.74 KCNH2 (0.71) ATMDRD4OPRD1OPRK1OPRM1

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