SCHEMBL7399625

SCHEMBL7399625

CC1(NC(=O)c2cccc(Br)c2)CCN(CCc2cccc(Cl)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LPAR1 Q92633 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7398712 0.93 ATM (0.55) ATMOPRM1OPRD1CTSLCTSB
SCHEMBL7400701 0.87 LMNA (0.55) ATMOPRM1OPRD1KMT2ANPC1
SCHEMBL7396668 0.86 ATM (0.48) ATMOPRM1OPRD1CTSLCTSB
SCHEMBL7392537 0.85 ATM (0.52) ATMOPRM1OPRD1CTSLCTSB
SCHEMBL7396482 0.84 ATM (0.45) ATMOPRM1OPRD1MAPTHDAC1
SCHEMBL7397699 0.83 ATM (0.43) ATMOPRM1OPRD1CTSLCTSB
SCHEMBL6141382 0.83 ATM (0.43) ATMOPRM1OPRD1CTSLCTSB
SCHEMBL7390926 0.83 MEN1 (0.43) ATMCTSLCTSBCTSSKMT2A
SCHEMBL7396414 0.79 OPRM1 (0.46) ATMOPRM1OPRD1CTSLL3MBTL1
SCHEMBL7397676 0.78 ATM (0.53) ATMKMT2ALMNAALDH1A1MEN1

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