SCHEMBL17590597

SCHEMBL17590597

O=C(O)[C@@H](I)CCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ GRM3 Q14832 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLAAT3 P53816 1/20 0.40
▸ PLAAT5 Q96KN8 1/20 0.40
▸ PLAAT2 Q9NWW9 1/20 0.40
▸ PLAAT4 Q9UL19 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
SCHEMBL4060725 0.82 CNR2 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5871596 0.82 FFAR1 (0.49) TAAR1FFAR1MEN1KMT2AALDH1A1
SCHEMBL16315019 0.81 CYP1A2 (0.45) TAAR1FFAR1ALDH1A1DPP4SMN1; SMN2
SCHEMBL11836621 0.80 MMP12 (0.58) FFAR1CPA1LMNA
SCHEMBL21447942 0.79 FFAR1 (0.46) TAAR1FFAR1MEN1KMT2AALDH1A1
SCHEMBL24440170 0.78 TSHR (0.49) FFAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16148363 0.78 GRIK1 (0.53) TAAR1FFAR1
SCHEMBL16148362 0.78 GRIK1 (0.53) TAAR1FFAR1
SCHEMBL26896552 0.78 TSHR (0.49) FFAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7453651 0.78 GRIK1 (0.53) TAAR1FFAR1

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
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 — — EP disclosed
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