SCHEMBL8946130

SCHEMBL8946130

CNC(Cc1cc(I)ccc1N)c1sccc1C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALOX5 P09917 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
SCHEMBL8946168 0.90 SLC6A2 (0.40) SLC6A2SLC6A4ALOX5
SCHEMBL8945809 0.87 TDP1 (0.33) ALOX5
SCHEMBL9425401 0.85 MAPT (0.30) ALOX5
SCHEMBL8945970 0.85 CYP3A4 (0.35) ALOX5
SCHEMBL8946019 0.85 MEN1 (0.32) ALOX5
SCHEMBL8946128 0.82 HTR2A (0.35)
SCHEMBL8946017 0.81 ALOX5 (0.33) ALOX5
Hydrochloric Acid SCHEMBL8946060 0.81 HTR2A (0.32) SLC6A4
SCHEMBL8946076 0.79 TDP1 (0.35) SLC6A4ALOX5
SCHEMBL8946111 0.78 CYP3A4 (0.39) SLC6A4ALOX5

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed
US-5292760-A 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-08 US disclosed