SCHEMBL9759191

SCHEMBL9759191

C[C@H](CN1CCCC1)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
ADRA1A P35348 3/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
MAPK1 P28482 2/20 0.36
SLC6A4 P31645 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
PGR P06401 1/20 0.36
TBXA2R P21731 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
ADRA1B P35368 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL9759188 1.00 HTR1A (0.36) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9759590 0.87 PTGS1 (0.47) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9331494 0.87 PTGS1 (0.47) HTR1AADRA1ALMNACHRM2ADRA2A
Hydrochloric Acid SCHEMBL9331475 0.86 PTGS1 (0.46) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9759397 0.86 PTGS1 (0.46) HTR1AADRA1ALMNACHRM2ADRA2A
Hydrochloric Acid SCHEMBL9334936 0.86 PTGS1 (0.46) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9331568 0.86 PTGS1 (0.46) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9331571 0.86 PTGS1 (0.46) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9759102 0.84 HRH3 (0.35) HTR1AADRA1ALMNACHRM2ADRA2A
SCHEMBL9759105 0.84 HRH3 (0.35) HTR1AADRA1ALMNACHRM2ADRA2A

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed