SCHEMBL9758722

SCHEMBL9758722

C[C@H](CN(C)CCO)N1c2ccccc2Sc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
CHRM2 P08172 4/20 0.40
HTR1A P08908 4/20 0.40
ADRA2A P08913 4/20 0.40
CHRM1 P11229 4/20 0.40
DRD1 P21728 4/20 0.40
ADRA1A P35348 4/20 0.40
OPRM1 P35372 4/20 0.40
DRD3 P35462 4/20 0.40
KCNH2 Q12809 4/20 0.40
PTGS1 P23219 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
TBXA2R P21731 3/20 0.40
MAPK1 P28482 3/20 0.40
SLC6A3 Q01959 2/20 0.40
PGR P06401 1/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL9758715 1.00 LMNA (0.40) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9758875 0.90 BCHE (0.39) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9758870 0.90 BCHE (0.39) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9759880 0.88 CHRM2 (0.40) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9759877 0.88 CHRM2 (0.40) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9758135 0.88 MEN1 (0.42) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9758142 0.88 MEN1 (0.42) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9759321 0.87 CHRM2 (0.47) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9759318 0.87 CHRM2 (0.47) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9758872 0.84 CHRM2 (0.41) LMNACHRM2HTR1AADRA2ACHRM1

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