SCHEMBL7992127

SCHEMBL7992127

c1ncc(CNCCC2CCCCC2)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
PDE10A Q9Y233 1/20 0.36
PRMT3 O60678 2/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35

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
Hydrochloric Acid SCHEMBL1678642 0.74 HPGD (0.59) SIGMAR1CHRM2CHRM1CHRM3HPGD
SCHEMBL7724183 0.71 SIGMAR1 (0.55) SIGMAR1PRMT3
SCHEMBL10865787 0.71 MAOB (0.41) PDE10ANPC1RAB9A
SCHEMBL25168672 0.71 TDP1 (0.36) PDE10ANPC1RAB9A
SCHEMBL716430 0.69 SIGMAR1 (0.48) SIGMAR1CHRM2CHRM1CHRM3HPGD
SCHEMBL23023177 0.67 SIGMAR1 (0.77) SIGMAR1CHRM2NPC1RAB9A
SCHEMBL23023029 0.67 SIGMAR1 (0.77) SIGMAR1CHRM2NPC1RAB9A
SCHEMBL13212565 0.66 PDE10A (0.35) PDE10ANPC1RAB9A
SCHEMBL23022917 0.66 SIGMAR1 (0.49) SIGMAR1CHRM2CHRM1CHRM3NPC1
SCHEMBL1347800 0.66 CXCR4 (0.47) SIGMAR1NPC1RAB9ABCHE

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
US-6277871-B1 ANTICANCER AGENTS ABBOTT LABORATORIES 2001-08-21 US disclosed