SCHEMBL11390451

SCHEMBL11390451

CN(C)CCn1c(-c2ccccc2)cc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
THRB P10828 2/20 0.51
TP53 P04637 6/20 0.50
HPGD P15428 1/20 0.44
HRH1 P35367 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
AVPR2 P30518 1/20 0.40
ADRA1A P35348 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 SCHEMBL11871667 0.99 MAPT (0.50) MAPTTHRBTP53HPGDHRH1
SCHEMBL11393400 0.91 CHRM2 (0.52) MAPTTHRBTP53HPGDHRH1
SCHEMBL11876008 0.91 CHRM2 (0.52) MAPTTHRBTP53HPGDHRH1
Hydrochloric Acid SCHEMBL11861430 0.90 CHRM2 (0.51) MAPTTHRBTP53HPGDHRH1
Hydrochloric Acid SCHEMBL11866707 0.90 CHRM2 (0.51) MAPTTHRBTP53HPGDHRH1
SCHEMBL11389479 0.89 HRH1 (0.47) MAPTTHRBTP53HPGDHRH1
Hydrochloric Acid SCHEMBL11868987 0.88 HRH1 (0.46) MAPTTHRBTP53HPGDHRH1
SCHEMBL11397624 0.84 SIGMAR1 (0.42) MAPTTHRBTP53HPGDSLC6A2
SCHEMBL11388761 0.81 MAPT (0.50) MAPTTHRBTP53HPGDHRH1
Hydrochloric Acid SCHEMBL11869651 0.80 MAPT (0.49) MAPTTHRBTP53HPGDHRH1

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-4273772-A Method of reducing gastric secretion HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1981-06-16 US disclosed