SCHEMBL11399686

SCHEMBL11399686

CC(C)C(CBr)Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
SLC6A4 P31645 2/20 0.47
ACACB O00763 1/20 0.37
IDO1 P14902 1/20 0.37
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
ADRB2 P07550 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2320829 0.79 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL2558920 0.79 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL6044834 0.77 TSHR (0.51) ACACBTSHR
SCHEMBL9880976 0.77 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL6044829 0.77 TSHR (0.51) ACACBTSHR
SCHEMBL12906649 0.76 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL28159673 0.74 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL4010409 0.74 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL8679555 0.74 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBIDO1
SCHEMBL764989 0.73 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4IDO1HTR2A

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
EP-0025882-A1 N-Phenylpropyl-substituted azoles, process for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1981-04-01 EP disclosed