SCHEMBL9313719

SCHEMBL9313719

CCC(=N)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ GRIN2D O15399 3/20 0.50
▸ GRIN3B O60391 3/20 0.50
▸ GRIN1 Q05586 3/20 0.50
▸ GRIN2A Q12879 3/20 0.50
▸ GRIN2B Q13224 3/20 0.50
▸ GRIN2C Q14957 3/20 0.50
▸ GRIN3A Q8TCU5 3/20 0.50
▸ MGLL Q99685 2/20 0.50
▸ TSHR P16473 4/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ AOC3 Q16853 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL22051459 0.80 GRIN2D (0.47) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL22053012 0.79 GRIN2D (0.55) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8279944 0.79 LMNA (0.63) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL16443399 0.78 GRIN2D (0.57) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5550228 0.78 GRIN2D (0.57) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1794953 0.76 GRIN2D (0.74) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1794951 0.76 GRIN2D (0.74) LMNAALDH1A1GRIN2DGRIN3BGRIN1
Phosphine SCHEMBL28553521 0.76 GRIN2D (0.55) LMNAALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17229422 0.75 ALDH1A1 (0.59) LMNAALDH1A1MGLLTSHRMEN1
SCHEMBL6433208 0.75 ALDH1A1 (0.64) LMNAALDH1A1TSHRMAPK1MEN1

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-5286752-A Antiarrhythmic diarylamidines STERLING WINTHROP INC. (US) 1994-02-15 — — US disclosed
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