SCHEMBL6569010

SCHEMBL6569010

[CH2]C(CN1CCCCC1)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 2/20 0.47
▸ LTA4H P09960 6/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ATP4A P20648 1/20 0.41
▸ ATP4B P51164 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL6569582 0.81 HSF1 (0.48) HSF1LTA4HKCNH2LOXL2HPGD
SCHEMBL1334786 0.80 HSF1 (0.50) HSF1LTA4HKCNH2LOXL2HPGD
SCHEMBL1334787 0.75 LTA4H (0.50) HSF1LTA4HKCNH2LOXL2HPGD
SCHEMBL27943317 0.73 HPGD (0.59) LOXL2HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL31010170 0.72 LTA4H (0.58) LTA4HKCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL29447341 0.70 KCNH2 (0.59) LTA4HKCNH2ALDH1A1SMN1; SMN2NPC1
SCHEMBL6569005 0.69 ATP4A (0.57) LTA4HKCNH2ALDH1A1NPC1RAB9A
SCHEMBL8413104 0.69 HPGD (0.54) LOXL2HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL7773349 0.69 HTR1A (0.50) LOXL2HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL10351068 0.68 HPGD (0.58) LOXL2HPGDALDH1A1SMN1; SMN2NPC1

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-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 — — EP claimed
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