SCHEMBL9622597

SCHEMBL9622597

COc1ccc(CSC2CCN(C/C=C/c3ccc(F)cc3)CC2)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2C P18825 3/20 0.42
ADRA2B P18089 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HTT P42858 2/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
CNR1 P21554 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL9622599 1.00 LMNA (0.44) LMNASMN1; SMN2ADRA2CADRA2BSLC6A3
SCHEMBL9367286 0.90 SMN1; SMN2 (0.48) LMNASMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL9367280 0.90 SMN1; SMN2 (0.48) LMNASMN1; SMN2HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL9622178 0.84 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
Fumaric Acid SCHEMBL9622181 0.84 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
Fumaric Acid SCHEMBL9622176 0.84 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9622908 0.76 SMN1; SMN2 (0.49) LMNASMN1; SMN2ADRA2CADRA2BDRD2
SCHEMBL9622905 0.76 SMN1; SMN2 (0.49) LMNASMN1; SMN2ADRA2CADRA2BDRD2
SCHEMBL9622848 0.75 CHRM2 (0.45) LMNASMN1; SMN2ADRA2CADRA2BSLC6A3
SCHEMBL9622236 0.74 SMN1; SMN2 (0.56) LMNASMN1; SMN2OPRM1OPRK1ALDH1A1

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed