SCHEMBL6570105

SCHEMBL6570105

CC1CCN(CC#CCCCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
ACHE P22303 2/20 0.59
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CCR3 P51677 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6570161 0.86 MAOB (0.48) SIGMAR1ACHEMAOBHRH3NPC1
SCHEMBL6570124 0.84 L3MBTL1 (0.52) SIGMAR1ACHEALDH1A1HRH3CYP3A4
SCHEMBL13504052 0.79 SIGMAR1 (0.88) SIGMAR1ACHEALDH1A1USP2HRH3
SCHEMBL17285905 0.77 SIGMAR1 (0.97) SIGMAR1ACHEALDH1A1USP2CCR3
SCHEMBL152736 0.75 ACHE (1.00) SIGMAR1ACHEALDH1A1USP2HRH3
SCHEMBL491564 0.72 SIGMAR1 (0.76) SIGMAR1ACHEALDH1A1USP2HRH3
SCHEMBL24429026 0.71 KDM4E (0.40) ACHEALDH1A1HRH3KDM4EPOLB
SCHEMBL156315 0.71 ACHE (1.00) SIGMAR1ACHEALDH1A1HRH3CCR3
SCHEMBL5966248 0.70 GRM5 (0.50) SIGMAR1MAOAMAOB
Ammonia Solution, Strong SCHEMBL2945383 0.70 ACHE (0.96) SIGMAR1ACHEALDH1A1HRH3CCR3

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