SCHEMBL8945744

SCHEMBL8945744

CCC1=Nc2ccccc2CC(c2ccsc2C)N1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8945958 0.85 HRH4 (0.32)
SCHEMBL8946140 0.83 HTT (0.32)
Hydrochloric Acid SCHEMBL8945828 0.81 HTT (0.31)
SCHEMBL8945732 0.81 NOS3 (0.38)
SCHEMBL8945788 0.81 MEN1 (0.38)
Hydrochloric Acid SCHEMBL8946092 0.80 MEN1 (0.37)
SCHEMBL9582581 0.79 MAOB (0.41)
SCHEMBL11270824 0.78 CHRNB2 (0.37) KCNH2
SCHEMBL8945997 0.78 SLC6A2 (0.38) KCNH2
SCHEMBL9582776 0.78 DRD2 (0.32) KCNH2

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US claimed
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
EP-0322582-A2 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-07-05 EP disclosed