SCHEMBL6652890

SCHEMBL6652890

N#CCC(=O)CCBr

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27985079 0.79
SCHEMBL10366903 0.78
SCHEMBL3992204 0.76
SCHEMBL7998260 0.76 MCL1 (0.43)
SCHEMBL8010699 0.76 MCL1 (0.43)
SCHEMBL9363497 0.76
SCHEMBL28546959 0.76
SCHEMBL1681637 0.75 MCL1 (0.39)
SCHEMBL81781 0.74
SCHEMBL9755815 0.74 EGLN1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983251-B1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LTD (GB) 2004-06-23 EP disclosed
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed
EP-0983251-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Pfizer Limited (GB) 2000-03-08 EP disclosed
WO-1998052929-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LIMITED (GB) 1998-11-26 WO disclosed