SCHEMBL11550587

SCHEMBL11550587

CCC(c1ccc(N)cc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
GFER P55789 3/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
RAD52 P43351 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.45
ADRA2C P18825 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
MC4R P32245 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
DHFR P00374 2/20 0.43
RPS6KB1 P23443 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
SCHEMBL11557311 0.81 POLB (0.66) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL3625080 0.78 MAPT (1.00) MAPTGFERLMNAALDH1A1MAPK1
SCHEMBL5988811 0.77 TP53 (0.53) MAPTGFERLMNAALDH1A1HTT
SCHEMBL14435697 0.77 TP53 (0.48) LMNAHTTTSHRTP53
SCHEMBL5258110 0.77 SLC6A3 (0.45) MAPTGFERALDH1A1MAPK1HTT
SCHEMBL12295763 0.76 ACHE (0.53) MAPTALDH1A1MAPK1HTTKDM4E
SCHEMBL8159508 0.76 LMNA (0.53) MAPTGFERLMNAALDH1A1MAPK1
SCHEMBL1048101 0.76 MAPT (0.61) MAPTGFERLMNAALDH1A1MAPK1
SCHEMBL2962631 0.74 OPRM1 (0.55) GFERLMNAALDH1A1KDM4EKMT2A
SCHEMBL5744901 0.74 MAPT (0.59) MAPTGFERLMNAALDH1A1MAPK1

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-4140775-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1979-02-20 US disclosed