SCHEMBL7400701

SCHEMBL7400701

COc1cccc(CCN2CCC(C)(NC(=O)c3cccc(Br)c3)C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.49
MMP13 P45452 2/20 0.44
SIGMAR1 Q99720 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ABCB1 P08183 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 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
SCHEMBL7392537 0.91 ATM (0.52) LMNAHPGDATMKMT2ANPC1
SCHEMBL7399625 0.87 ATM (0.51) LMNAHPGDATMKMT2ANPC1
SCHEMBL7396668 0.85 ATM (0.48) ATMOPRM1OPRD1HRH3HDAC1
SCHEMBL7396482 0.73 ATM (0.45) LMNAATMOPRM1OPRD1HDAC1
SCHEMBL29818122 0.72 LMNA (0.77) LMNAHPGDMMP13KMT2ANPC1
SCHEMBL7397699 0.70 ATM (0.43) ATMKMT2AOPRM1OPRD1KCNH2
SCHEMBL6141382 0.70 ATM (0.43) ATMKMT2AOPRM1OPRD1KCNH2
SCHEMBL7390926 0.70 MEN1 (0.43) LMNAATMKMT2ANPC1HDAC1
SCHEMBL7396882 0.68 OPRM1 (0.46) ATMSIGMAR1KMT2AOPRM1OPRD1
SCHEMBL7396414 0.68 OPRM1 (0.46) ATMOPRM1OPRD1

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
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed