Bromide

Bromide

SCHEMBL11628916

Br.C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCSCC3)cc(C(C)(CCC)c3ccc(F)cc3)cc1OC2(C)C

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
Hydrochloric Acid SCHEMBL11632280 0.93 CNR1 (0.34) CNR1CNR2
Hydrochloric Acid SCHEMBL11628977 0.92 CNR1 (0.40) CNR1CNR2
Hydrochloric Acid SCHEMBL11632230 0.91 CNR1 (0.33) CNR1CNR2
Hydrochloric Acid SCHEMBL11628935 0.86 CNR1 (0.31) CNR1CNR2
SCHEMBL11739188 0.85 CNR2 (0.32) CNR1CNR2
Hydrochloric Acid SCHEMBL11632709 0.83 — —
Hydrochloric Acid SCHEMBL11772623 0.82 CNR2 (0.36) CNR1CNR2
Hydrochloric Acid SCHEMBL11742847 0.81 CNR1 (0.35) CNR1CNR2
Hydrochloric Acid SCHEMBL11738677 0.80 CNR2 (0.41) CNR1CNR2
SCHEMBL11737133 0.80 CNR2 (0.33) CNR1CNR2

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
US-4081449-A ANALGESICS, ANTICONVULSANTS ABBOTT LABORATORIES (US) 1978-03-28 — — US disclosed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
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