SCHEMBL27636264

SCHEMBL27636264

BrCCCCCCC(CCCOCCCC(CCCCCCBr)c1cccc(I)c1)c1cccc(I)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.32

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
SCHEMBL27636259 0.84 IDO1 (0.36) —
SCHEMBL4628854 0.72 IDO1 (0.41) TACR1
SCHEMBL925028 0.71 IDO1 (0.47) TACR1
SCHEMBL24991648 0.68 IDO1 (0.51) TACR1
SCHEMBL27410794 0.67 RIPK1 (0.42) —
SCHEMBL24991328 0.66 IDO1 (0.53) TACR1
SCHEMBL28944304 0.66 NR1I2 (0.42) —
SCHEMBL30442907 0.64 ALDH1A1 (0.36) —
SCHEMBL11078438 0.63 IDO1 (0.39) TACR1
SCHEMBL27557391 0.63 SLC6A3 (0.38) TACR1

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-1732152-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2006-02-08 — — CN disclosed
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