SCHEMBL1499498

SCHEMBL1499498

O=C(Nc1cccc(Cl)c1)c1cccc2cc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 1.00
FADS1 O60427 4/20 0.58
P2RX1 P51575 1/20 0.55
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55
MAOB P27338 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KEAP1 Q14145 1/20 0.51
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CBR1 P16152 1/20 0.50
AKR1C3 P42330 1/20 0.50
PDPK1 O15530 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL678733 0.83 GRM5 (0.70) GRM5NPC1RAB9AKEAP1KMT2A
SCHEMBL678702 0.80 GRM5 (0.66) GRM5NPC1RAB9AKMT2ATP53
SCHEMBL25669217 0.78 GRM5 (0.64) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL16339265 0.78 GRM5 (0.64) GRM5MAOBNPC1RAB9AKEAP1
SCHEMBL1874966 0.78 GRM5 (0.61) GRM5FADS1NPC1RAB9AKMT2A
SCHEMBL15778699 0.77 FADS1 (0.68) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL20551983 0.77 GRM5 (0.62) GRM5NPC1RAB9AKMT2AMEN1
SCHEMBL20552363 0.77 GRM5 (0.62) GRM5NPC1RAB9AKMT2ATP53
SCHEMBL3924976 0.77 GRM5 (0.62) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL2129113 0.76 FADS1 (0.71) GRM5FADS1P2RX1P2RX4P2RX7

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
JP-2011507537-A 2011-03-10 JP claimed