SCHEMBL6967970

SCHEMBL6967970

N=CN.c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
AOC3 Q16853 1/20 0.37
CALM1 P0DP23 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HTR2B P41595 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
LTB4R Q15722 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MET P08581 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
TLR8 Q9NR97 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL649075 0.89 ALDH1A1 (0.46) ALDH1A1AOC3CALM1TAAR1HRH3
SCHEMBL6967935 0.85 KCNH2 (0.42) TAAR1TLR8SMN1; SMN2MAOB
SCHEMBL9029161 0.79 TSHR (0.48) ALDH1A1CALM1TAAR1HRH3HTR2B
Immethridine SCHEMBL845141 0.77 HRH4 (0.44) ALDH1A1HRH3HSD17B10HRH4SMN1; SMN2
SCHEMBL4629510 0.76 TAAR1 (0.40) ALDH1A1TAAR1HSD17B10METTLR8
SCHEMBL2102562 0.75 HRH3 (0.51) ALDH1A1HRH3L3MBTL1RAB9ASMN1; SMN2
SCHEMBL6971279 0.75 HRH3 (0.38) TAAR1HRH3L3MBTL1
SCHEMBL3149298 0.75 L3MBTL1 (0.49) ALDH1A1HRH3L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4628344 0.74 GABRA1 (0.35) ALDH1A1TAAR1HTR2BL3MBTL1HSD17B10
SCHEMBL29952731 0.73 MAOA (0.41) ALDH1A1HTR2BRAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed