SCHEMBL11066031

SCHEMBL11066031

COc1cccc2c(OC3CCNCC3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.53
HTR2C P28335 2/20 0.50
HTR1A P08908 4/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A3 Q01959 2/20 0.49
KHK P50053 1/20 0.48
PNMT P11086 1/20 0.47
SLC6A4 P31645 2/20 0.46
PDE4B Q07343 1/20 0.43
JUND P17535 1/20 0.43
FOSB P53539 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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 SCHEMBL11071373 0.98 HRH1 (0.51) HRH1HTR2CHTR1ASLC6A2SLC6A3
SCHEMBL1780546 0.84 HRH1 (0.62) HRH1HTR2CHTR1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4100905 0.83 HRH1 (0.60) HRH1HTR2CHTR1ASLC6A2SLC6A3
SCHEMBL11069093 0.82 SLC6A2 (0.63) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL23360080 0.82 HTR1A (0.46) HRH1HTR2CHTR1ASLC6A2SLC6A3
SCHEMBL5473677 0.81 HRH1 (0.58) HRH1HTR1ASLC6A2SLC6A3KHK
Hydrochloric Acid SCHEMBL11068846 0.81 SLC6A2 (0.61) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL5460821 0.80 HRH1 (0.57) HRH1HTR1ASLC6A2SLC6A3KHK
SCHEMBL27263702 0.78 HRH1 (0.48) HRH1HTR2CHTR1ASLC6A2SLC6A3
SCHEMBL11063098 0.78 IKBKB (0.48) HRH1HTR2CJUNDFOSBTLR9

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