SCHEMBL9734725

SCHEMBL9734725

COC(=O)C(CCCN(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.46
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
UTS2R Q9UKP6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2646900 0.85 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL10650293 0.84 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL9000618 0.83 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL10651696 0.82 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL631558 0.81 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL10651698 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL10650297 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL632673 0.78 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL1456465 0.76 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL7640086 0.76 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089251-A AROMATIC DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS SANOFI (FR) 1992-02-18 US disclosed
US-4916156-A ANTISEPTIC OR PRESERVATIVES IN PHARMACY, COSMETOLOGY OR FOOD STUFF SANOFI (FR) 1990-04-10 US disclosed