SCHEMBL9370707

SCHEMBL9370707

CCC(NCCCc1ncc[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
NAMPT P43490 10/20 0.42
ATP1A1 P05023 1/20 0.40
ATP1B1 P05026 1/20 0.40
ATP1A3 P13637 1/20 0.40
ATP1B2 P14415 1/20 0.40
ATP1A2 P50993 1/20 0.40
ATP1B3 P54709 1/20 0.40
FXYD2 P54710 1/20 0.40
ATP1A4 Q13733 1/20 0.40
TERT O14746 1/20 0.38
FFAR2 O15552 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
TBXAS1 P24557 2/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL9367906 0.85 TAAR1 (0.47) TAAR1NAMPTTERTFFAR2HRH4
Hydrochloric Acid SCHEMBL9372242 0.84 TAAR1 (0.46) TAAR1NAMPTTERTFFAR2HRH4
SCHEMBL9368208 0.81 TAAR1 (0.46) TAAR1NAMPTTERTFFAR2HRH4
SCHEMBL9368961 0.80 NAMPT (0.44) TAAR1NAMPTTERTHRH4AKT1
SCHEMBL9372244 0.78 SIGMAR1 (0.46) TAAR1NAMPT
Hydrochloric Acid SCHEMBL9370769 0.77 SIGMAR1 (0.45) TAAR1NAMPT
SCHEMBL9020747 0.76 TAAR1 (0.45) TAAR1NAMPTTERTHRH4TBXAS1
SCHEMBL9368868 0.75 TAAR1 (0.48) TAAR1NAMPTFFAR2TBXAS1
SCHEMBL21099034 0.73 TERT (0.49) TAAR1NAMPTTERTHRH4TBXAS1
SCHEMBL9367779 0.73 TAAR1 (0.48) TAAR1NAMPTTERTHRH4

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
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP claimed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed