SCHEMBL7440923

SCHEMBL7440923

CCCCOc1ccc2c(c1)OC(C(O)CNC1CCNCC1)CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL7440201 0.96 ADRB2 (0.38) THRATHRBITGB3ITGA2BADRB2
SCHEMBL7436853 0.88 MTNR1A (0.43) KMT2ASMN1; SMN2MTNR1AFFAR1
SCHEMBL7446282 0.84 LMNA (0.41) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL7437308 0.83 CA2 (0.38) ADRB2ADRB1KMT2AMAPTSMN1; SMN2
SCHEMBL7435145 0.82 KDM4E (0.35) ITGB3ITGA2BADRB2ADRB1KMT2A
SCHEMBL7434523 0.81 GNAI3 (0.31) ADRB2ADRB1SLC6A4
SCHEMBL7440937 0.81 CA2 (0.38) ADRB2ADRB1KMT2AMEN1SLC6A4
SCHEMBL10993141 0.80 KMT2A (0.39) THRATHRBITGB3ITGA2BKMT2A
SCHEMBL7436376 0.79 ADRB2 (0.32) ADRB2ADRB1KMT2AMAPTMEN1
SCHEMBL7434496 0.79 LMNA (0.43) KMT2AMAPTKDM4ESMN1; SMN2

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed