SCHEMBL9370644

SCHEMBL9370644

Clc1ccc(CCNCCCCCc2ncc[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TBXAS1 P24557 2/20 0.43
TERT O14746 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
NAMPT P43490 2/20 0.42
SLC2A1 P11166 1/20 0.42
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL9367766 0.94 NAMPT (0.46) CHRM2HRH4HRH3TBXAS1TERT
SCHEMBL8466104 0.83 CHRM2 (0.53) CHRM2HRH4HRH3TERTSIGMAR1
SCHEMBL9021157 0.81 SIGMAR1 (0.63) TBXAS1SIGMAR1TAAR1
SCHEMBL9368553 0.81 NAMPT (0.45) TBXAS1TERTSIGMAR1NAMPTL3MBTL1
SCHEMBL27220846 0.77 TERT (0.56) TBXAS1TERTNAMPTTAAR1
SCHEMBL9020813 0.76 DRD2 (0.52) TBXAS1TERTNAMPTTAAR1
SCHEMBL29109594 0.75 TERT (0.51) HRH4HRH3TBXAS1TERTSIGMAR1
SCHEMBL9367781 0.74 TAAR1 (0.49) TBXAS1SIGMAR1NAMPTTSHRTAAR1
SCHEMBL28712307 0.74 TBXAS1 (0.46) HRH4HRH3TBXAS1TERTSIGMAR1
SCHEMBL28717110 0.74 TBXAS1 (0.46) HRH4HRH3TBXAS1TERTSIGMAR1

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 1 patent. 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 disclosed