SCHEMBL10903271

SCHEMBL10903271

CC(O)CC(c1ccc(C(=O)O)cc1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.57
▸ OPRM1 P35372 5/20 0.45
▸ SLC6A4 P31645 7/20 0.45
▸ SLC6A2 P23975 6/20 0.45
▸ OPRK1 P41145 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL10900950 0.86 OPRD1 (0.60) OPRD1OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL25168550 0.80 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL25168549 0.80 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL10900699 0.78 OPRD1 (0.53) OPRD1OPRM1SLC6A4SLC6A2OPRK1
SCHEMBL10900510 0.73 OPRD1 (0.54) OPRD1OPRM1SLC6A4SLC6A2OPRK1
SCHEMBL10901707 0.73 OPRD1 (0.54) OPRD1OPRM1
SCHEMBL2427658 0.72 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL10898495 0.72 OPRD1 (0.61) OPRD1OPRM1SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6796629 0.71 OPRD1 (0.97) OPRD1OPRM1OPRK1
SCHEMBL10897511 0.71 OPRD1 (0.48) OPRD1OPRM1SLC6A4SLC6A2SLC6A3

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
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
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