SCHEMBL7440201

SCHEMBL7440201

CCCCOc1ccc2c(c1)OCC(C(O)CNC1CCNCC1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 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
SCHEMBL7440923 0.96 THRA (0.37) ADRB2ADRB1ADRB3THRATHRB
SCHEMBL7446282 0.88 LMNA (0.41) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL7435145 0.85 KDM4E (0.35) ADRB2ADRB1ITGB3ITGA2BKMT2A
SCHEMBL7434523 0.85 GNAI3 (0.31) ADRB2ADRB1SLC6A4
SCHEMBL7436853 0.84 MTNR1A (0.43) KMT2ASMN1; SMN2MTNR1AFFAR1
SCHEMBL7433144 0.83 ADRB2 (0.35) ADRB2ADRB1KMT2AMAPTSMN1; SMN2
SCHEMBL7436499 0.81 GNAI3 (0.30)
SCHEMBL7435716 0.81 PNMT (0.33) THRBITGB3ITGA2BKDM4EITGAV
SCHEMBL7431324 0.81 CA2 (0.38) ADRB2ADRB1KMT2AMAPTKDM4E
SCHEMBL7435524 0.81 CA2 (0.38) ADRB2ADRB1KMT2AMAPTKDM4E

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