SCHEMBL11064997

SCHEMBL11064997

FC(F)(F)c1ccc2ccccc2c1OC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.44
HTR2C P28335 3/20 0.43
SLC6A2 P23975 6/20 0.43
HTR1A P08908 4/20 0.43
SLC6A3 Q01959 3/20 0.43
CHRM3 P20309 1/20 0.40
NMT1 P30419 1/20 0.39
SLC6A4 P31645 3/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOS1 Q07889 1/20 0.38

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
SCHEMBL11073267 0.78 SLC6A2 (0.49) HRH1HTR2CSLC6A2HTR1ASLC6A3
SCHEMBL11064624 0.77 HRH1 (0.50) HRH1HTR2CSLC6A2HTR1ASLC6A3
SCHEMBL11073820 0.76 KDM4E (0.46)
Hydrochloric Acid SCHEMBL11065701 0.76 HRH1 (0.49) HRH1HTR2CSLC6A2HTR1ASLC6A3
SCHEMBL83377 0.73 HRH1 (0.57) HRH1HTR2CSLC6A2HTR1ASLC6A3
Hydrochloric Acid SCHEMBL473008 0.72 HRH1 (0.55) HRH1HTR2CSLC6A2HTR1ASLC6A3
SCHEMBL5473677 0.71 HRH1 (0.58) HRH1SLC6A2HTR1ASLC6A3SLC6A4
Hydrochloric Acid SCHEMBL29863150 0.70 HRH1 (0.42) HRH1SLC6A2HTR1ASLC6A3CHRM3
Hydrochloric Acid SCHEMBL5460821 0.70 HRH1 (0.57) HRH1SLC6A2HTR1ASLC6A3SLC6A4
SCHEMBL11068948 0.70 HRH1 (0.49) HRH1HTR2CSLC6A2HTR1ASLC6A3

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-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed