SCHEMBL7694232

SCHEMBL7694232

O=C(O)c1ccc2c(Oc3ccc(CCN(Cc4ccccc4)C[C@@H](O)c4cccc(Cl)c4)cc3)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.47
LPAR1 Q92633 5/20 0.47
LPAR5 Q9H1C0 5/20 0.47
ADRB1 P08588 7/20 0.46
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7694230 1.00 ADRB3 (0.47) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7693528 0.91 ADRB3 (0.41) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7693527 0.91 ADRB3 (0.41) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7694225 0.90 KCNH2 (0.41) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7694224 0.90 KCNH2 (0.41) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7695546 0.90 ADRB3 (0.42) ADRB3LPAR1LPAR5ADRB1ALDH1A1
SCHEMBL7693505 0.85 ADRB3 (0.44) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7693501 0.85 ADRB3 (0.44) ADRB3LPAR1LPAR5ADRB1MET
SCHEMBL7689687 0.83 ALDH1A1 (0.56) LPAR1LPAR5METAXLMERTK
SCHEMBL7689684 0.83 ALDH1A1 (0.56) LPAR1LPAR5METAXLMERTK

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed