SCHEMBL9367906

SCHEMBL9367906

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
NAMPT P43490 9/20 0.43
FFAR2 O15552 1/20 0.41
TERT O14746 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
TBXAS1 P24557 2/20 0.37

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
Hydrochloric Acid SCHEMBL9372242 0.99 TAAR1 (0.46) TAAR1NAMPTFFAR2TERTHRH4
SCHEMBL9368208 0.96 TAAR1 (0.46) TAAR1NAMPTFFAR2TERTHRH4
SCHEMBL9368016 0.87 FPR2 (0.40) TAAR1NAMPTTERTHRH4TBXAS1
SCHEMBL9367779 0.85 TAAR1 (0.48) TAAR1NAMPTTERTHRH4HTR1A
SCHEMBL9370707 0.85 TAAR1 (0.42) TAAR1NAMPTFFAR2TERTHRH4
SCHEMBL9368659 0.83 CYP3A4 (0.47) TERT
SCHEMBL9372244 0.82 SIGMAR1 (0.46) TAAR1NAMPT
SCHEMBL9368961 0.82 NAMPT (0.44) TAAR1NAMPTTERTHRH4
Hydrochloric Acid SCHEMBL9370769 0.81 SIGMAR1 (0.45) TAAR1NAMPT
SCHEMBL8446903 0.79 HTR1A (0.39) HTR1AHTR7HTR6

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