SCHEMBL27701529

SCHEMBL27701529

NC(=O)N(C(=O)CO)C1(c2ccccc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRL1 P41146 3/20 0.40
AKR1C1 Q04828 1/20 0.40
HDAC4 P56524 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Bicarbonate SCHEMBL5156531 0.71 OPRL1 (0.67) OPRM1OPRL1
Bicarbonate SCHEMBL5162054 0.69 OPRL1 (0.64) OPRM1OPRL1
SCHEMBL2782210 0.66 OPRL1 (0.78) OPRM1OPRL1
SCHEMBL43810 0.65 AKR1C1 (0.68) OPRL1AKR1C1HDAC4HTTSMN1; SMN2
SCHEMBL13955288 0.65 OPRM1 (0.59) OPRM1OPRL1
SCHEMBL9818613 0.65 OPRM1 (0.40) OPRM1OPRL1HDAC4
SCHEMBL27525174 0.65 AKR1C1 (0.43) OPRM1OPRL1AKR1C1HDAC4MEN1
SCHEMBL17761202 0.65 DPP4 (0.56) AKR1C1SMN1; SMN2MEN1KMT2A
SCHEMBL11500280 0.65 MEN1 (0.43) OPRM1OPRL1AKR1C1HDAC4MEN1
SCHEMBL11665387 0.65 AKR1C1 (0.43) OPRM1OPRL1AKR1C1HDAC4MEN1

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
CN-101087775-A Azole derivatives with antimuscarinic activity CHIESI FARMA SPA (IT) 2007-12-12 CN disclosed