SCHEMBL9012410

SCHEMBL9012410

Cc1ccc(NCCC(C)C)c(C[S+]([O-])c2ncc[nH]2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.32
ADRA1D P25100 4/20 0.32
ADRA1A P35348 4/20 0.32
ADRA1B P35368 4/20 0.32
UTS2R Q9UKP6 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
SCHEMBL9012178 0.85 ADRA1D (0.34) HTR1AADRA1DADRA1AADRA1BUTS2R
SCHEMBL9013449 0.83 UTS2R (0.33) HTR1AADRA1DADRA1AADRA1BUTS2R
SCHEMBL9011960 0.80 ITK (0.30)
SCHEMBL9011890 0.75 ADRA1D (0.40) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9329023 0.74 VCP (0.32) HTR1AADRA1DADRA1AADRA1BUTS2R
SCHEMBL9012164 0.74 RIPK1 (0.44)
SCHEMBL6528639 0.74 IDO1 (0.33) ADRA1DADRA1AADRA1B
SCHEMBL9329176 0.73 ADRA1D (0.40) HTR1AADRA1DADRA1AADRA1BUTS2R
SCHEMBL9012300 0.72 KDM4E (0.32) UTS2R
SCHEMBL9011897 0.72 NPC1 (0.33)

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-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed