SCHEMBL11200656

SCHEMBL11200656

Nc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.57
▸ MAPT P10636 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 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
SCHEMBL10856538 0.87 GAA (0.58) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL11206897 0.85 ALDH1A1 (0.54) MAPTTSHRKDM4EALDH1A1HTT
SCHEMBL10860653 0.84 SIGMAR1 (0.54) SIGMAR1TSHRGAAHTTATM
SCHEMBL11194501 0.81 LMNA (0.51) TSHRKDM4EALDH1A1GAAHTT
SCHEMBL10851723 0.80 TNKS (0.50) TSHRKDM4EALDH1A1GAAHTT
SCHEMBL16825908 0.80 SIGMAR1 (0.57) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL11196110 0.79 ALDH1A1 (0.50) MAPTTSHRALDH1A1GAAHTT
SCHEMBL11197047 0.79 KDM4E (0.52) MAPTKDM4EGAAL3MBTL1DRD2
SCHEMBL11201299 0.76 USP2 (0.50) TSHRALDH1A1GAAATMFAAH
SCHEMBL11197942 0.75 HRH3 (0.45) TSHRNPC1RAB9AGAAHTT

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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