SCHEMBL8577364

SCHEMBL8577364

COC(=O)Cc1ccc(N2C(=O)NCC2c2ccc(CCN)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
QPCT Q16769 7/20 0.37
QPCTL Q9NXS2 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR7 P34969 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
NPC1L1 Q9UHC9 1/20 0.33

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
SCHEMBL8574007 0.91 ITGB3 (0.39) QPCTQPCTLITGB3ITGA2B
SCHEMBL8575777 0.89 QPCT (0.43) QPCTQPCTLMAPTALDH1A1HTR7
SCHEMBL8572786 0.86 QPCT (0.38) QPCTQPCTLITGB3ITGA2BALDH1A1
SCHEMBL8577361 0.84 CYP4F2 (0.37) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL8571601 0.82 ITGB3 (0.40) QPCTQPCTLITGB3ITGA2B
Hydrochloric Acid SCHEMBL8577444 0.81 SIRT2 (0.36) QPCTITGB3ITGA2B
SCHEMBL8577440 0.80 HRH3 (0.35) QPCTQPCTLITGB3ITGA2B
SCHEMBL8576047 0.80 HRH3 (0.38) QPCTQPCTL
SCHEMBL8571709 0.80 PPARD (0.45) QPCTQPCTLITGB3ITGA2B
SCHEMBL8575601 0.79 HRH3 (0.36) QPCTQPCTL

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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed