SCHEMBL7984784

SCHEMBL7984784

Nc1ccc(N)c(CCc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
SYK P43405 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PRMT1 Q99873 1/20 0.40

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
SCHEMBL14193180 0.87 HRH1 (0.55) HRH1L3MBTL1SYKMAOAMAOB
Hydrochloric Acid SCHEMBL3251435 0.85 HRH1 (0.53) HRH1L3MBTL1SYKMAOAMAOB
SCHEMBL6794320 0.85 L3MBTL1 (0.57) HRH1L3MBTL1SYKMAOAMAOB
SCHEMBL3999395 0.84 HRH1 (0.51) HRH1L3MBTL1SYKMAOAMAOB
SCHEMBL11327558 0.82 HRH1 (0.57) HRH1L3MBTL1MAOAMAOBCYP1A2
SCHEMBL18343654 0.81 SYK (0.55) HRH1L3MBTL1SYKMAOAMAOB
SCHEMBL17672974 0.80 LMNA (0.46) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL11319599 0.80 NPC1 (0.50) HRH1SYKCYP1A2CYP2D6CYP2E1
Ammonia Solution, Strong SCHEMBL4843625 0.80 HRH1 (0.50) HRH1L3MBTL1SYKMAOAMAOB
SCHEMBL23453426 0.79 HRH1 (0.57) HRH1L3MBTL1SYKMAOAMAOB

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
WO-2001077077-A1 SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION NOVARTIS AG (CH) 2001-10-18 WO disclosed