SCHEMBL9737894

SCHEMBL9737894

CNCCc1cc(F)c(OC)c(OC)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.44
HTR2A P28223 5/20 0.42
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MPO P05164 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEP1B Q16820 1/20 0.32

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
SCHEMBL10446436 0.80 CYP1A2 (0.47) TAAR1HTR2A
SCHEMBL9736373 0.75 POLB (0.47) TAAR1HTR2APOLBATMSLC6A2
SCHEMBL6600626 0.73 HTR2A (0.48) HTR2AMPO
SCHEMBL718130 0.69 CYP1A2 (0.47) TAAR1HTR2A
SCHEMBL31440963 0.66 HTR2A (0.53) TAAR1HTR2AMPO
SCHEMBL25748455 0.66 HTR2A (0.53) TAAR1HTR2AMPO
SCHEMBL19304384 0.64 ALDH1A1 (0.39) TAAR1HTR2AMEP1B
SCHEMBL4835849 0.64 DBH (0.45) HTR2APOLB
SCHEMBL20630756 0.64 HTR2A (0.73) TAAR1HTR2APOLBATM
SCHEMBL27828878 0.64 ALDH1A1 (0.34) CHRM2CHRM1CHRM3MEP1B

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
US-5120759-A TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY HOFFMANN-LA ROCHE INC. (US) 1992-06-09 US disclosed