SCHEMBL5713432

SCHEMBL5713432

C[C@H]1C[C@H](C)CN(C(CCCc2ccccc2)CCOCCC(CCCc2ccccc2)N2C[C@@H](C)C[C@H](C)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
MC4R P32245 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5713501 1.00 SIGMAR1 (0.42) SIGMAR1MC4RALDH1A1MEN1KMT2A
SCHEMBL1335893 0.87 SMN1; SMN2 (0.41) SIGMAR1MEN1KMT2AHRH3POLB
SCHEMBL1335891 0.87 SMN1; SMN2 (0.41) SIGMAR1MEN1KMT2AHRH3POLB
SCHEMBL5713440 0.85 SIGMAR1 (0.50) SIGMAR1MC4RALDH1A1MEN1KMT2A
SCHEMBL5713495 0.85 HPGD (0.45) SIGMAR1MC4RALDH1A1MEN1KMT2A
SCHEMBL6052744 0.81 SIGMAR1 (0.44) SIGMAR1ALDH1A1MEN1KMT2AHRH3
SCHEMBL5713520 0.80 HRH3 (0.52) SIGMAR1MC4RALDH1A1MEN1KMT2A
SCHEMBL5713485 0.79 HRH3 (0.55) SIGMAR1MC4RALDH1A1HRH3SMN1; SMN2
SCHEMBL491723 0.75 HRH3 (0.61) SIGMAR1ALDH1A1MEN1KMT2AHRH3
SCHEMBL491586 0.75 HRH3 (0.61) SIGMAR1ALDH1A1MEN1KMT2AHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863487-B1 TREATMENT OF SYMPTOMS OF PARKINSON'S DISEASE WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2013-05-29 EP claimed
EP-1428820-B1 Non-imidazole alkylamines as histamine H-3-receptor ligands and their therapeutic applications BIOPROJET SOC CIV (FR) 2006-05-17 EP claimed
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