SCHEMBL7418561

SCHEMBL7418561

Cc1csc(C[C@H](N)C(=O)N2CCC(CCO)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.49
▸ OPRK1 P41145 2/20 0.42
▸ AKR1C3 P42330 2/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ MBOAT4 Q96T53 1/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ SCD O00767 1/20 0.36
▸ NLN Q9BYT8 2/20 0.36

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
SCHEMBL7422906 0.85 F2 (0.51) F2OPRK1AKR1C3HRH2HRH1
SCHEMBL7421614 0.84 F2 (0.43) F2OPRK1AKR1C3HRH2HRH1
SCHEMBL7443425 0.76 F2 (0.54) F2
SCHEMBL7417366 0.74 F2 (0.37) F2OPRK1HRH2HRH1MBOAT4
Hydrochloric Acid SCHEMBL7417363 0.74 F2 (0.36) F2OPRK1HRH2HRH1MBOAT4
Hydrochloric Acid SCHEMBL7417361 0.74 F2 (0.36) F2OPRK1HRH2HRH1MBOAT4
SCHEMBL7479296 0.69 F2 (0.48) F2OPRK1
SCHEMBL7359256 0.68 F2 (0.53) F2
SCHEMBL7360493 0.68 F2 (0.53) F2
Bromide SCHEMBL7365314 0.67 F2 (0.52) 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
Send feedback