SCHEMBL10409487

SCHEMBL10409487

NCCCN1CCNCC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL10409483 0.91 SLC6A2 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL6867873 0.87 DPP4 (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL11835662 0.86 ADRB2 (0.35) SIGMAR1CYP2D6DPP4DPP7
SCHEMBL10958845 0.85 SLC18A3 (0.39) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27843488 0.84 SLC6A2 (0.41) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27506411 0.84 TAAR1 (0.44) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5323955 0.83 HSD17B10 (0.46) SIGMAR1
SCHEMBL4977025 0.82 SLC18A3 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL404339 0.82 TAAR1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL8757950 0.79 TAAR1 (0.41) TAAR1DPP4DPP7

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-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 EP disclosed