SCHEMBL11235013

SCHEMBL11235013

CC(c1ccccc1)[C@]1(C(=O)OC(=O)CCS)CCCN1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ACE P12821 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
HPGD P15428 1/20 0.32
APAF1 O14727 1/20 0.32

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
SCHEMBL11234497 0.87 SLC6A2 (0.33) LMNAACEKMT2ASMN1; SMN2MME
SCHEMBL11228481 0.85 MAPT (0.32) ACE
SCHEMBL11228772 0.84 SLC6A2 (0.34) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL11243304 0.77 LMNA (0.37) LMNASMN1; SMN2SLC6A2SLC6A3SLC6A4
SCHEMBL7338136 0.73 ACE (0.33) ACEKMT2AOPRM1
SCHEMBL11231627 0.72 SLC6A2 (0.31) LMNAACESLC6A2SLC6A3SLC6A4
SCHEMBL7347613 0.70 CTSK (0.33) LMNAACEKMT2ASMN1; SMN2MME
SCHEMBL5889023 0.69
SCHEMBL28507597 0.68 LMNA (0.36) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL7339039 0.67

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-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed