SCHEMBL31075155

SCHEMBL31075155

CCOC(=O)c1cnn(Cc2ccc(N3CCC3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ CACNA1H O95180 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ OGA O60502 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BTK Q06187 4/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL31075230 0.85 POLB (0.44) GRM2NPC1RAB9AKDM4ERXFP1
SCHEMBL31075335 0.84 HSD17B10 (0.48) KLKB1BTKOPRM1OPRK1
SCHEMBL3101067 0.81 KMT2A (0.51) GRM2NPC1RAB9AKDM4EKMT2A
SCHEMBL18795048 0.81 GRM2 (0.55) GRM2NPC1KLKB1SMN1; SMN2
SCHEMBL1909166 0.80 GRM2 (0.53) GRM2NPC1KDM4EKMT2AKLKB1
SCHEMBL28595790 0.79 ESR1 (0.55) GRM2NPC1KDM4EKMT2AKLKB1
SCHEMBL2821953 0.79 LMNA (0.54) GRM2NPC1RAB9AKLKB1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL31075300 0.78 HSD17B10 (0.43) CACNA1HKLKB1BTKOPRM1OPRK1
SCHEMBL19471906 0.78 KLKB1 (0.56) CACNA1HNPC1RAB9AKDM4ERXFP1
SCHEMBL554548 0.78 GRM2 (0.51) GRM2NPC1KDM4EKMT2AKLKB1

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-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 — — EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 — — WO disclosed
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