SCHEMBL11197942

SCHEMBL11197942

CCCCc1ccc(CN2CCN(c3nnc(N)[nH]3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.45
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLA2G2A P14555 3/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL11196110 0.84 ALDH1A1 (0.50) MEN1KMT2AGAATSHRMAPK1
SCHEMBL11194501 0.84 LMNA (0.51) MEN1KMT2AGAATSHRMAPK1
SCHEMBL11197047 0.82 KDM4E (0.52) GAAMAPK1
SCHEMBL10856538 0.81 GAA (0.58) MEN1KMT2AGAATSHRMAPK1
SCHEMBL10851723 0.80 TNKS (0.50) MEN1KMT2AGAATSHRMAPK1
SCHEMBL16825853 0.80 TSHR (0.56) HRH3MEN1KMT2AGAATSHR
SCHEMBL11201299 0.79 USP2 (0.50) HRH3MEN1KMT2AGAATSHR
SCHEMBL10860653 0.79 SIGMAR1 (0.54) MEN1KMT2AGAATSHRHTT
SCHEMBL1045364 0.78 HRH3 (0.67) HRH3TSHRS1PR4S1PR1S1PR3
SCHEMBL28144854 0.77 HRH3 (0.47) HRH3MEN1KMT2AGAATSHR

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-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
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