SCHEMBL11069216

SCHEMBL11069216

Cc1c(OC2CCN(CCCC(=O)c3ccc(F)cc3)CC2)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
HTR1A P08908 2/20 0.56
ADRA2A P08913 2/20 0.56
DRD1 P21728 2/20 0.56
ADRA1A P35348 2/20 0.56
DRD3 P35462 2/20 0.56
KCNH2 Q12809 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
MEN1 O00255 1/20 0.56
OPRM1 P35372 1/20 0.56
KMT2A Q03164 1/20 0.56
DRD2 P14416 5/20 0.55
HTR2A P28223 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.50
CYP2D6 P10635 2/20 0.49
MLNR O43193 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49

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
SCHEMBL11068915 0.89 DRD2 (0.60) CHRM2HTR1AADRA2ADRD1ADRA1A
Hydrochloric Acid SCHEMBL11066446 0.88 DRD2 (0.59) CHRM2HTR1AADRA2ADRD1ADRA1A
SCHEMBL11067238 0.85 HRH2 (0.48) KMT2AALDH1A1TSHRLMNAHRH1
SCHEMBL11065708 0.82 HTR5A (0.46) DRD3DRD2HTR2A
SCHEMBL11073339 0.81 DRD2 (0.60) CHRM2HTR1AADRA2ADRD1ADRA1A
Hydrochloric Acid SCHEMBL11065041 0.81 DRD2 (0.59) CHRM2HTR1AADRA2ADRD1ADRA1A
SCHEMBL11068301 0.78 MEN1 (0.54) CHRM2HTR1AADRA2ADRD1ADRA1A
SCHEMBL11066025 0.77 HTR1A (0.50) CHRM2HTR1AADRA2ADRD1ADRA1A
SCHEMBL11068893 0.76 ALDH1A1 (0.52) CHRM2HTR1AADRA2ADRD1ADRA1A
SCHEMBL11364041 0.76 DRD2 (0.61) CHRM2HTR1AADRA2ADRD1ADRA1A

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