SCHEMBL7422906

SCHEMBL7422906

NCc1csc(C[C@H](N)C(=O)N2CCC(CCO)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.51
▸ OPRK1 P41145 2/20 0.38
▸ OPRD1 P41143 2/20 0.36
▸ NLN Q9BYT8 2/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ DPP8 Q6V1X1 3/20 0.35
▸ DPP9 Q86TI2 3/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34

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
SCHEMBL7421614 0.90 F2 (0.43) F2OPRK1OPRD1NLNAKR1C3
SCHEMBL7418561 0.85 F2 (0.49) F2OPRK1OPRD1NLNAKR1C3
SCHEMBL7417366 0.78 F2 (0.37) F2OPRK1OPRD1DPP4DPP8
Hydrochloric Acid SCHEMBL7417361 0.77 F2 (0.36) F2OPRK1OPRD1DPP4DPP8
Hydrochloric Acid SCHEMBL7417363 0.77 F2 (0.36) F2OPRK1OPRD1DPP4DPP8
SCHEMBL7443425 0.75 F2 (0.54) F2
SCHEMBL22669129 0.72 HSD17B10 (0.40) —
SCHEMBL7435281 0.70 OPRD1 (0.56) F2OPRK1OPRD1NLNDPP4
SCHEMBL7359256 0.69 F2 (0.53) F2
SCHEMBL7360493 0.69 F2 (0.53) F2

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-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 — — EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 — — WO disclosed
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