SCHEMBL3722669

SCHEMBL3722669

Cc1cc(OCC2CCCCC2)ccc1Oc1ccc2cc(CCN)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.37
PARP15 Q460N3 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL3719459 0.89 PARP10 (0.37) PARP10PARP15MAOAMAOB
SCHEMBL3717025 0.87 PARP10 (0.40) PARP10PARP15
SCHEMBL3721927 0.87 PARP10 (0.37) PARP10PARP15MAOAMAOBFFAR1
SCHEMBL3717292 0.86 MCHR1 (0.36) MCHR1
SCHEMBL3724497 0.85 CSNK2A1 (0.35)
SCHEMBL3721288 0.85 MTNR1A (0.45) PARP10PARP15MCHR1
SCHEMBL3718627 0.83 ACACB (0.43)
SCHEMBL3720375 0.83 MCHR1 (0.35) PARP10PARP15MCHR1
SCHEMBL3721908 0.83 GLA (0.41) PPARDMCHR1
SCHEMBL3720646 0.82 GLA (0.43)

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed