SCHEMBL13256372

SCHEMBL13256372

Cc1ccc(C2CCCCCC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.45
ADCY1 Q08828 1/20 0.45
HTR2A P28223 1/20 0.43
PDK2 Q15119 1/20 0.41
POLQ O75417 1/20 0.41
AR P10275 3/20 0.38
ACMSD Q8TDX5 2/20 0.38
BACE1 P56817 1/20 0.37
EPHX2 P34913 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL13256360 1.00 ADCY8 (0.45) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL22246620 0.98 HTR2A (0.44) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL12762087 0.95 HTR2A (0.44) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL18162314 0.91 POLQ (0.47) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL3434595 0.91 POLQ (0.47) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL18162311 0.86 POLQ (0.44) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL13256370 0.84 HTR2A (0.48) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL30228726 0.83 HTR2C (0.56) HTR2A
SCHEMBL25763098 0.82 POLQ (0.39) ADCY8ADCY1HTR2APDK2POLQ
SCHEMBL25767649 0.81 POLQ (0.41) ADCY8ADCY1HTR2APDK2POLQ

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-2010088574-A1 AZABENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-08-05 WO disclosed