SCHEMBL27328871

SCHEMBL27328871

Fc1cccc(Cc2cc[c]cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
DAO P14920 2/20 0.44
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MIF P14174 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
IDH1 O75874 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL3300303 0.85 TAAR1 (0.60) TAAR1IDO1AGXTDAOCYP17A1
SCHEMBL15456313 0.84 TAAR1 (0.57) TAAR1IDO1AGXTDAOMIF
SCHEMBL3298408 0.83 CALM1 (0.57) TAAR1IDO1AGXTDAOCYP17A1
SCHEMBL7929350 0.81 TAAR1 (0.52) TAAR1IDO1AGXTDAOCYP17A1
SCHEMBL3026516 0.81 TAAR1 (0.53) TAAR1IDO1AGXTDAOSLC6A3
SCHEMBL27693023 0.77 PTPN5 (0.53) TAAR1AGXTCYP17A1CYP3A4CYP11B1
SCHEMBL3032997 0.76 IDO1 (0.44) TAAR1IDO1AGXTDAOCYP3A4
SCHEMBL2414844 0.76 TAAR1 (0.47) TAAR1IDO1DAOMAOB
SCHEMBL1501342 0.76 CYP11B1 (0.69) TAAR1IDO1AGXTDAOCYP17A1
SCHEMBL3022914 0.76 PNMT (0.50) TAAR1IDO1AGXTDAOCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1009197-B Process for preparing N, 3-disubstituted 2-oxindole-1-carboxamides PFIZER (US) 1990-08-15 CN disclosed
CN-85103527-A Preparation N, the method for the disubstituted 2-hydroxyindole of 3--1-hydroxyalkyl cooh amide 1987-01-28 CN disclosed