SCHEMBL4080115

SCHEMBL4080115

Cc1cc(CNCCC(C)C)ccc1-c1cc(-c2nnc[nH]2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPK14 Q16539 2/20 0.32
OPRL1 P41146 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
S1PR1 P21453 1/20 0.30
VSIR Q9H7M9 1/20 0.30

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
SCHEMBL4256175 0.88 AKT1 (0.38) AKT1HDAC1MAPK14OPRL1S1PR1
SCHEMBL4082823 0.86 AKT1 (0.39) AKT1HDAC1OPRL1HRH4S1PR1
SCHEMBL4074510 0.85 AKT1 (0.36) AKT1HDAC1SCN8AVSIR
SCHEMBL4081718 0.85 AKT1 (0.35) AKT1HDAC1MAPK14S1PR1VSIR
SCHEMBL13633146 0.82 SCN8A (0.35) AKT1HDAC1SCN8AS1PR1VSIR
Hydrochloric Acid SCHEMBL4490670 0.81 SCN8A (0.35) AKT1HDAC1SCN8AS1PR1VSIR
SCHEMBL4083648 0.76 HDAC1 (0.33) AKT1HDAC1VSIR
SCHEMBL4071465 0.76 CSNK2A1 (0.40) AKT1HDAC1OPRL1VSIR
SCHEMBL13137130 0.70 HTT (0.39) AKT1HDAC1OPRL1S1PR1VSIR
Hydrochloric Acid SCHEMBL3050316 0.69 HTT (0.39) AKT1HDAC1OPRL1S1PR1VSIR

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-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed