SCHEMBL8577440

SCHEMBL8577440

COC(=O)CCc1ccc(N2C(=O)NCC2c2ccc(C(C)(C)CN)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
QPCT Q16769 7/20 0.34
QPCTL Q9NXS2 1/20 0.34
EPHX2 P34913 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F10 P00742 1/20 0.33
PTGER2 P43116 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
IDO1 P14902 1/20 0.31
NAAA Q02083 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL8575601 0.90 HRH3 (0.36) HRH3QPCTQPCTLEPHX2PTGER2
SCHEMBL8573927 0.89 RXRA (0.36) QPCTQPCTLEPHX2ITGB3ITGA2B
SCHEMBL8574007 0.88 ITGB3 (0.39) HRH3QPCTQPCTLEPHX2ITGB3
SCHEMBL8576047 0.83 HRH3 (0.38) HRH3QPCTQPCTLEPHX2IDO1
SCHEMBL8572857 0.82 HRH3 (0.37) HRH3QPCTQPCTLEPHX2ITGB3
SCHEMBL8417112 0.82 AKT1 (0.38) HRH3QPCTQPCTLEPHX2CA1
Hydrochloric Acid SCHEMBL8577042 0.82 HRH3 (0.35) HRH3QPCTQPCTLEPHX2CA1
SCHEMBL8417044 0.80 AKT2 (0.41) HRH3QPCTQPCTLEPHX2
SCHEMBL8577364 0.80 CYP4F2 (0.42) QPCTQPCTLITGB3ITGA2B
SCHEMBL8571038 0.80 QPCT (0.38) HRH3QPCTQPCTLEPHX2NAAA

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