SCHEMBL7435526

SCHEMBL7435526

C[S+]([O-])c1ccc(C(C(N)=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
TEAD1 P28347 2/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7280166 0.85 OPRD1 (0.42) CHRM2CHRM1MEN1KMT2AOPRM1
SCHEMBL7435723 0.81 CHRM2 (0.32) CHRM2CHRM1LMNAGAA
SCHEMBL7437442 0.81 TSHR (0.45) CHRM2CHRM1TEAD1LMNATSHR
SCHEMBL7426489 0.79 CHRM2 (0.38) CHRM2CHRM1TEAD1LMNAGAA
SCHEMBL7434817 0.79 LMNA (0.51) LMNAGAAMEN1ALDH1A1KMT2A
SCHEMBL7434257 0.79 EPHX1 (0.40) CHRM2CHRM1LMNAKMT2ATSHR
SCHEMBL7431600 0.77 CHRM2 (0.37) CHRM2CHRM1TEAD1MEN1ALDH1A1
SCHEMBL7439650 0.77 CHRM2 (0.56) CHRM2CHRM1LMNAMEN1ALDH1A1
SCHEMBL7435074 0.77 CA2 (0.41)
SCHEMBL7431638 0.75 EPHX1 (0.55) CHRM1LMNATSHR

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed