SCHEMBL28103546

SCHEMBL28103546

O=CC1CCN(c2ccccc2Br)N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTR6 P50406 1/20 0.30
▸ HCAR1 Q9BXC0 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
SCHEMBL28103279 0.81 ALOX5 (0.46) MGLLL3MBTL1HCAR1
SCHEMBL28103632 0.80 ALOX5 (0.46) MGLLHCAR1
SCHEMBL28103298 0.78 DRD2 (0.48) MGLLHTR6
SCHEMBL28103538 0.78 NCF1 (0.38) —
SCHEMBL28103584 0.78 FAAH (0.40) MGLLL3MBTL1HCAR1
SCHEMBL27671224 0.77 ALOX5 (0.41) L3MBTL1
SCHEMBL28103270 0.74 ALDH1A1 (0.34) MGLL
SCHEMBL27873897 0.73 ALOX5 (0.47) MGLLL3MBTL1
SCHEMBL28103547 0.68 ADRB2 (0.41) —
SCHEMBL27726704 0.68 ALOX5 (0.44) L3MBTL3L3MBTL1

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
CN-106061950-A Method for producing pyrazole compound 住友化学株式会社 2016-10-26 — — CN disclosed
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