SCHEMBL13003505

SCHEMBL13003505

NC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ PRCP P42785 1/20 0.48
▸ OPRK1 P41145 2/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ DRD2 P14416 4/20 0.44
▸ DRD4 P21917 4/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ GIPR P48546 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL13003086 0.83 GCGR (0.43) PRCPDRD2DRD4GCGRGIPR
SCHEMBL2667899 0.81 GCGR (0.44) PRCPDRD2DRD4DRD3GCGR
SCHEMBL2250281 0.80 GCGR (0.43) PRCPCNR1GCGRGIPRMEN1
SCHEMBL2255802 0.79 MEN1 (0.48) GAACNR1GCGRGIPRMEN1
SCHEMBL13748634 0.77 GCGR (0.46) PRCPGCGRGIPRMEN1KMT2A
SCHEMBL2251290 0.76 GCGR (0.45) PRCPGCGRGIPRMEN1KMT2A
SCHEMBL2250997 0.76 GCGR (0.45) GAAPRCPGCGRGIPRMEN1
SCHEMBL2251590 0.75 KMT2A (0.48) GAACNR1GCGRGIPRMEN1
SCHEMBL2667903 0.75 GCGR (0.61) GCGRGIPR
SCHEMBL2667907 0.74 GCGR (0.77) GCGRGIPR

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
EP-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 — — EP disclosed
Send feedback