SCHEMBL6570124

SCHEMBL6570124

CC1CCCN(CC#CCCCc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL6570105 0.84 SIGMAR1 (0.61) CYP3A4CYP2C19SIGMAR1ALDH1A1TSHR
SCHEMBL7979173 0.81 L3MBTL1 (0.62) L3MBTL1SIGMAR1HRH3
SCHEMBL19850993 0.81 L3MBTL1 (0.62) L3MBTL1SIGMAR1HRH3
SCHEMBL11205656 0.78 ACHE (0.66) HPGDSMN1; SMN2CYP3A4CYP2C19SIGMAR1
SCHEMBL12725 0.78 ACHE (0.66) HPGDSMN1; SMN2CYP3A4CYP2C19SIGMAR1
SCHEMBL12929 0.78 ACHE (0.66) HPGDSMN1; SMN2CYP3A4CYP2C19SIGMAR1
SCHEMBL491602 0.75 HRH3 (0.68) ALDH1A1HRH3
SCHEMBL12717 0.74 CYP3A4 (0.66) HPGDSMN1; SMN2CYP3A4CYP2C19SIGMAR1
SCHEMBL5304179 0.74 CYP3A4 (0.66) HPGDSMN1; SMN2CYP3A4CYP2C19SIGMAR1
SCHEMBL13083 0.74 CYP3A4 (0.66) HPGDSMN1; SMN2CYP3A4CYP2C19SIGMAR1

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