SCHEMBL7401016

SCHEMBL7401016

CCCN1CCSC(c2ccc(OC)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.66
MAOA P21397 1/20 0.46
PABPC1 P11940 1/20 0.45
SLC6A4 P31645 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
MAP2K1 Q02750 1/20 0.42
BRD4 O60885 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL7402278 0.89 DRD2 (0.50) DRD2MAOAMAP2K1BRD4HRH3
SCHEMBL7399918 0.85 DRD2 (0.63) DRD2SLC6A4BRD4
SCHEMBL7399263 0.81 MAOA (0.51) DRD2MAOAMAP2K1BRD4
SCHEMBL466984 0.79 SIGMAR1 (0.53) DRD2HRH3
SCHEMBL14266745 0.79 MAOA (0.49) DRD2MAOASLC6A4MAP2K1HRH3
SCHEMBL7397293 0.75 BRD4 (0.56) MAOAMAP2K1BRD4
SCHEMBL25564212 0.75 DRD2 (0.89) DRD2SLC6A4KDM2B
SCHEMBL7398714 0.75 MAOA (0.48) DRD2MAOASLC6A4MAP2K1BRD4
SCHEMBL7402174 0.74 DRD2 (0.49) DRD2BRD4
SCHEMBL7398210 0.74 KDM4E (0.47) MAOAMAP2K1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206233-A Antidepressants, antiischemic agents WARNER-LAMBERT COMPANY (US) 1993-04-27 US claimed
WO-1993004053-A1 SUBSTITUTED THIAZEPINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO claimed
US-5206233-A Antidepressants, antiischemic agents WARNER-LAMBERT COMPANY (US) 1993-04-27 US disclosed
WO-1993004053-A1 SUBSTITUTED THIAZEPINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed