SCHEMBL8575775

SCHEMBL8575775

COC(=O)COc1ccc(N2C(=O)NCC2c2ccccc2CCN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
FAAH O00519 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.36
QPCT Q16769 3/20 0.36
QPCTL Q9NXS2 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8571705 0.89 PPARD (0.41) PPARDMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8577361 0.87 CYP4F2 (0.37) FAAHMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL8575777 0.83 QPCT (0.43) FAAHMAPTALDH1A1KDM4EQPCT
SCHEMBL8572785 0.79 NSD2 (0.37) SMN1; SMN2QPCTTSHRRAB9APOLB
SCHEMBL8575545 0.74 P2RX3 (0.34) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8577364 0.74 CYP4F2 (0.42) MAPTSMN1; SMN2ALDH1A1QPCTQPCTL
SCHEMBL8571709 0.73 PPARD (0.45) PPARDQPCTQPCTL
SCHEMBL8574007 0.72 ITGB3 (0.39) QPCTQPCTL
SCHEMBL8575389 0.71 GAA (0.35) MAPTALDH1A1KDM4EHPGDQPCT
SCHEMBL8572954 0.67 NOS3 (0.39) MAPTALDH1A1KDM4EMAPK1TSHR

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