SCHEMBL8575391

SCHEMBL8575391

COC(=O)CCc1ccc(C2CNC(=O)N2c2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.37
QPCTL Q9NXS2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34
PTPN1 P18031 2/20 0.34
ACACB O00763 1/20 0.33
GCK P35557 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
SCHEMBL8575389 0.83 GAA (0.35) QPCTPTPN1GCK
SCHEMBL8574007 0.81 ITGB3 (0.39) QPCTQPCTLHRH3
SCHEMBL8576047 0.80 HRH3 (0.38) QPCTQPCTLHRH3GCK
SCHEMBL8575601 0.80 HRH3 (0.36) QPCTQPCTLHRH3GCK
SCHEMBL8572857 0.79 HRH3 (0.37) QPCTQPCTLHRH3GCK
Hydrochloric Acid SCHEMBL8577042 0.79 HRH3 (0.35) QPCTQPCTLHRH3
SCHEMBL8577440 0.78 HRH3 (0.35) QPCTQPCTLHRH3GCK
SCHEMBL7284346 0.77 HDAC1 (0.39) HRH3PTPN1ACACB
SCHEMBL8571911 0.77 CA9 (0.35) QPCTQPCTLHRH3
SCHEMBL8417112 0.77 AKT1 (0.38) QPCTQPCTLHRH3

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