SCHEMBL8019134

SCHEMBL8019134

c1ccc2c(c1)CSc1ccccc1N2C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.46
▸ HTR2A P28223 5/20 0.46
▸ HTR2B P41595 5/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR1E P28566 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42

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 SCHEMBL7479386 0.81 TSHR (0.40) HTR2CHTR2AHTR2BNOTUMOPRM1
SCHEMBL12537100 0.81 KDM1A (0.47) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL38663158 0.81 KDM1A (0.47) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL2869637 0.79 HTR2C (0.58) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL18175772 0.77 HTR2C (0.53) HTR2CHTR2AHTR2BHRH1ALDH1A1
SCHEMBL8025512 0.76 OPRL1 (0.60) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL8018517 0.73 GPR119 (0.46) HSD17B3
SCHEMBL8020392 0.73 ALDH1A1 (0.42) HTR2CHTR2AHTR2BHTR1ACHRM5
SCHEMBL8025466 0.72 OPRM1 (0.46) HTR2CHTR2AHTR2BHTR1ACHRM5
SCHEMBL8018967 0.72 KCNH2 (0.45) HTR2CHTR2AHTR2BHTR1ACHRM5

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-6063779-A CARDIOVASCULAR DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2000-05-16 — — US disclosed
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