SCHEMBL9758879

SCHEMBL9758879

CC(CN1CC=CC1)N1c2ccccc2Sc2ccc(C(N)=S)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.39
ADRA1A P35348 8/20 0.39
DRD3 P35462 8/20 0.39
KCNH2 Q12809 8/20 0.39
CHRM2 P08172 7/20 0.39
CHRM1 P11229 7/20 0.39
OPRM1 P35372 6/20 0.39
DRD2 P14416 5/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
HTR2A P28223 4/20 0.39
HRH1 P35367 4/20 0.39
HTR2B P41595 4/20 0.39
CHRM3 P20309 3/20 0.39
HTR2C P28335 3/20 0.39
OPRK1 P41145 3/20 0.39
PTGS1 P23219 4/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 5/20 0.38
MAPK1 P28482 3/20 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
SCHEMBL9331579 0.89 USP2 (0.40) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9331883 0.89 USP2 (0.40) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9759706 0.88 USP2 (0.39) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9332048 0.88 USP2 (0.39) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9331978 0.88 USP2 (0.39) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9331955 0.85 LMNA (0.41) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9331947 0.85 LMNA (0.41) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9759826 0.85 BCHE (0.40) HTR1AADRA1ADRD3KCNH2CHRM2
SCHEMBL9334129 0.83 KMT2A (0.40) HTR1AADRA1ADRD3KCNH2CHRM2
Hydrochloric Acid SCHEMBL9759364 0.83 HTR1A (0.37) HTR1AADRA1ADRD3KCNH2CHRM2

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