SCHEMBL18536575

SCHEMBL18536575

C=C(Nc1ncc(Br)c(C)n1)[C@@H]1COC(C)(C)O1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.30
▸ HCRTR1 O43613 1/20 0.30

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
SCHEMBL15519213 0.73 CA2 (0.38) —
SCHEMBL15509016 0.73 CA2 (0.38) —
SCHEMBL16599580 0.67 ALDH1A1 (0.50) —
SCHEMBL12073058 0.62 HCRTR1 (0.33) HCRTR2HCRTR1
SCHEMBL14936023 0.62 HCRTR1 (0.33) HCRTR2HCRTR1
SCHEMBL29990890 0.61 IDH1 (0.36) —
SCHEMBL17236191 0.61 CA2 (0.32) —
SCHEMBL18946789 0.59 TMEM97 (0.31) —
SCHEMBL15514647 0.59 CCNE1 (0.42) —
SCHEMBL24288138 0.58 MAPK8 (0.47) —

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-2909212-B1 SUBSTITUTED 1,4-DIHYDROPYRAZOLO[4,3-B]INDOLES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-22 — — EP disclosed
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