SCHEMBL11066025

SCHEMBL11066025

Cc1cccc2c(OC3CCN(CCC(=O)c4ccc(F)cc4)CC3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
DRD2 P14416 3/20 0.47
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2D6 P10635 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL11068893 0.91 ALDH1A1 (0.52) HTR1AKMT2AMEN1CHRM2ADRA2A
SCHEMBL11068301 0.82 MEN1 (0.54) HTR1AKMT2AMEN1CHRM2ADRA2A
SCHEMBL11068915 0.81 DRD2 (0.60) HTR1AKMT2AMEN1CHRM2ADRA2A
SCHEMBL11065103 0.81 SOD1 (0.51) HTR1AKMT2AMEN1DRD2TSHR
Hydrochloric Acid SCHEMBL11065682 0.80 KMT2A (0.51) HTR1AKMT2AMEN1DRD3DRD2
Hydrochloric Acid SCHEMBL11066446 0.80 DRD2 (0.59) HTR1AKMT2AMEN1CHRM2ADRA2A
SCHEMBL11069216 0.77 CHRM2 (0.56) HTR1AKMT2AMEN1CHRM2ADRA2A
SCHEMBL11363794 0.72 HSD11B1 (0.49) HTR1AKMT2AMEN1CHRM2ADRA2A
SCHEMBL10963882 0.72 CHRM2 (0.52) HTR1AKMT2AMEN1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL10965760 0.71 CHRM2 (0.51) HTR1AKMT2AMEN1CHRM2ADRA2A

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