SCHEMBL9759293

SCHEMBL9759293

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 2/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
S1PR1 P21453 1/20 0.31
MAPT P10636 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9759290 1.00 SNCA (0.32) SNCASLC6A4SLC6A3KCNH2BRD4
SCHEMBL9331357 0.87 LMNA (0.41) SLC6A4SLC6A3KCNH2CYP1A2CYP2D6
SCHEMBL9758897 0.87 LMNA (0.41) SLC6A4SLC6A3KCNH2CYP1A2CYP2D6
SCHEMBL9759102 0.84 HRH3 (0.35) SNCASLC6A4SLC6A3KCNH2BRD4
SCHEMBL9759105 0.84 HRH3 (0.35) SNCASLC6A4SLC6A3KCNH2BRD4
SCHEMBL9759769 0.83 CYP1A2 (0.35) SNCASLC6A4SLC6A3KCNH2BRD4
SCHEMBL9759772 0.83 CYP1A2 (0.35) SNCASLC6A4SLC6A3KCNH2BRD4
SCHEMBL9759188 0.80 HTR1A (0.36) SLC6A4SLC6A3KCNH2BRD4BRD2
SCHEMBL9759191 0.80 HTR1A (0.36) SLC6A4SLC6A3KCNH2BRD4BRD2
SCHEMBL9758660 0.79 TRPV4 (0.33) SNCASLC6A4S1PR1TBXA2RACHE

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