SCHEMBL19932659

SCHEMBL19932659

CC(C)(C)OC(=O)N1CCc2c(Cc3ccc(-c4cscn4)cc3)cc(C(N)=O)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.38
▸ PRKCI P41743 3/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ C5AR1 P21730 2/20 0.37
▸ CHRM1 P11229 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL19925995 0.93 P2RX3 (0.38) P2RX3PRKCIMTORPARP1TNKS2
SCHEMBL19932582 0.90 ADORA1 (0.41) P2RX3PRKCIMTORPARP1TNKS2
SCHEMBL19932658 0.82 CHRM1 (0.61) MTORCHRM1PDE2APDE11A
SCHEMBL28904624 0.82 CHRM1 (0.61) MTORCHRM1PDE2APDE11A
SCHEMBL28500321 0.82 CHRM1 (0.40) P2RX3CHRM1PDE2APDE11AP2RX7
SCHEMBL19925934 0.76 PTGER4 (0.43) P2RX3PRKCIMTORPARP1TNKS2
SCHEMBL19932597 0.73 ADORA1 (0.44) P2RX3MTORPARP1TNKS2PARP2
SCHEMBL19932702 0.70 CNR2 (0.44) PARP1
SCHEMBL16033973 0.70 P2RX7 (0.55) PARP1TNKS2PARP2ESR2P2RX7
SCHEMBL17541257 0.69 GRM2 (0.58) GRM2

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — WO disclosed
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