SCHEMBL3719459

SCHEMBL3719459

NCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.37
PARP15 Q460N3 3/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL3720375 0.93 MCHR1 (0.35) PARP10PARP15
SCHEMBL3722669 0.89 PARP10 (0.37) PARP10PARP15MAOAMAOB
SCHEMBL3717503 0.87 KCNH2 (0.36)
SCHEMBL3717025 0.87 PARP10 (0.40) PARP10PARP15
SCHEMBL3721103 0.87 PARP10 (0.37) PARP10PARP15MAOAMAOB
SCHEMBL3720495 0.84 MTNR1A (0.46) PARP10PARP15
SCHEMBL3718627 0.83 ACACB (0.43)
SCHEMBL3717501 0.83 GLA (0.39)
SCHEMBL3721908 0.83 GLA (0.41)
SCHEMBL3720089 0.82 TEC (0.37) PARP10PARP15

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