SCHEMBL9758890

SCHEMBL9758890

CC(CN1C(C)CCC1C)N1c2ccccc2Sc2ccc(C#N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
PTGS1 P23219 4/20 0.45
CHRM2 P08172 4/20 0.45
HTR1A P08908 4/20 0.45
ADRA2A P08913 4/20 0.45
CHRM1 P11229 4/20 0.45
DRD1 P21728 4/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
ADRA1A P35348 4/20 0.45
OPRM1 P35372 4/20 0.45
DRD3 P35462 4/20 0.45
KCNH2 Q12809 4/20 0.45
MAPK1 P28482 3/20 0.45
ACHE P22303 3/20 0.45
TBXA2R P21731 2/20 0.45
SLC6A3 Q01959 2/20 0.45
PGR P06401 1/20 0.45
DRD2 P14416 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL10385721 0.85 KCNH2 (0.45) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL10385722 0.85 KCNH2 (0.45) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9759036 0.82 LMNA (0.44) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9759590 0.82 PTGS1 (0.47) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9331494 0.82 PTGS1 (0.47) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9758776 0.82 ALDH1A1 (0.48) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9758956 0.82 ALDH1A1 (0.48) LMNAPTGS1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL9334936 0.81 PTGS1 (0.46) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9331568 0.81 PTGS1 (0.46) LMNAPTGS1CHRM2HTR1AADRA2A
SCHEMBL9331571 0.81 PTGS1 (0.46) LMNAPTGS1CHRM2HTR1AADRA2A

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