SCHEMBL11073267

SCHEMBL11073267

Cc1ccc2ccccc2c1OC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
HTR1A P08908 3/20 0.49
SLC6A4 P31645 2/20 0.49
HRH1 P35367 3/20 0.47
SLC6A3 Q01959 2/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR4 Q13639 1/20 0.41
NMT1 P30419 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
CHRM3 P20309 1/20 0.40

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
Hydrochloric Acid SCHEMBL6970223 0.83 SLC6A2 (0.46) SLC6A2HTR1ASLC6A4SLC6A3CYP1A2
SCHEMBL11068948 0.79 HRH1 (0.49) SLC6A2HTR1ASLC6A4HRH1SLC6A3
SCHEMBL28006814 0.79 HTR1A (0.66) SLC6A2HTR1ASLC6A4HRH1SLC6A3
SCHEMBL11064997 0.78 HRH1 (0.44) SLC6A2HTR1ASLC6A4HRH1SLC6A3
Hydrochloric Acid SCHEMBL11066756 0.78 HRH1 (0.48) SLC6A2HTR1ASLC6A4HRH1SLC6A3
SCHEMBL3718773 0.77 LMNA (0.45) SLC6A2HTR1ASLC6A4HRH1HTR2A
Hydrochloric Acid SCHEMBL16650666 0.77 HTR1A (0.64) SLC6A2HTR1ASLC6A4HRH1SLC6A3
SCHEMBL5473677 0.74 HRH1 (0.58) SLC6A2HTR1ASLC6A4HRH1SLC6A3
Hydrochloric Acid SCHEMBL5460821 0.73 HRH1 (0.57) SLC6A2HTR1ASLC6A4HRH1SLC6A3
SCHEMBL5363791 0.72 HTR1A (0.58) SLC6A2HTR1ASLC6A4HRH1SLC6A3

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