SCHEMBL11068948

SCHEMBL11068948

Cc1c(OC2CCNCC2)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.49
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR1A P08908 1/20 0.46
KHK P50053 1/20 0.43
HTR6 P50406 1/20 0.43
NCEH1 Q6PIU2 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 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

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 SCHEMBL11066756 0.98 HRH1 (0.48) HRH1SLC6A2SLC6A3HTR1AKHK
SCHEMBL5473677 0.81 HRH1 (0.58) HRH1SLC6A2SLC6A3HTR1AKHK
SCHEMBL11067192 0.81 NOS3 (0.45) HRH1SLC6A2SLC6A3HTR1ANCEH1
SCHEMBL12192613 0.80 IKBKB (0.54) PIM1PIM2
Hydrochloric Acid SCHEMBL5460821 0.80 HRH1 (0.57) HRH1SLC6A2SLC6A3HTR1AKHK
Hydrochloric Acid SCHEMBL11062354 0.79 SMN1; SMN2 (0.45) HRH1SLC6A2SLC6A3HTR1ANCEH1
Hydrochloric Acid SCHEMBL2497632 0.79 IKBKB (0.53) PIM1PIM2
SCHEMBL11073267 0.79 SLC6A2 (0.49) HRH1SLC6A2SLC6A3HTR1AHTR2A
SCHEMBL3115926 0.74 SLC6A2 (0.57) HRH1SLC6A2SLC6A3HTR1AHTR6
SCHEMBL1229562 0.74 HRH1 (0.62) HRH1SLC6A2SLC6A3HTR1AHTR2C

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