SCHEMBL8031503

SCHEMBL8031503

COc1ccc2[nH]c(C)c(C(CCCCCCN3C(=O)C=CC3=O)C(=O)OC(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.43
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AKR1C2 P52895 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PTGS2 P35354 10/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ABCC3 O15438 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ MT-CO2 P00403 1/20 0.36

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
SCHEMBL11832981 0.82 TRPV1 (0.51) TRPV1HDAC1HDAC3HDAC4HDAC2
SCHEMBL11557313 0.79 TRPV1 (0.45) TRPV1HDAC1AKR1C2MAPTKDM4E
SCHEMBL11189245 0.78 TRPV1 (0.45) TRPV1HDAC1HDAC3HDAC4HDAC2
SCHEMBL8122137 0.78 TRPV1 (0.45) TRPV1HDAC1AKR1C2MAPTKDM4E
SCHEMBL8686345 0.76 TRPV1 (0.50) TRPV1HDAC1AKR1C2MAPTKDM4E
SCHEMBL10525350 0.74 TRPV1 (0.41) TRPV1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL10526688 0.74 TRPV1 (0.41) TRPV1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL11212906 0.74 TRPV1 (0.42) TRPV1HDAC1HDAC3HDAC4HDAC2
SCHEMBL9293018 0.74 TRPV1 (0.42) TRPV1HDAC1HDAC3HDAC4HDAC2
SCHEMBL10880872 0.74 TRPV1 (0.41) TRPV1HDAC1KDM4EALDH1A1HPGD

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
US-6075120-A A HETERODIMERIC PEPTIDE MODULATOR; FOR THE TREATMENT OF ASTHMA; FOR THE TREATMENT OF PAIN; ANTIINFLAMMATORY AGENTS CORTECH, INC. (US) 2000-06-13 — — US disclosed
US-5863899-A ANALGESICS AND ANTIINFLAMMATORY AGENT; A MORPHINE OR DERIVATIVE IS ATTACHED TO BRANDYKININ ANTAGONIST PEPTIDE BY MALEIMIDO OR AMINO ACID ANALOG LINKER CORTECH, INC. (US) 1999-01-26 — — US disclosed
EP-0671941-A4 BRADYKININ ANTAGONISTS. CORTECH INC (US) 1996-05-29 — — EP disclosed
EP-0671941-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1995-09-20 — — EP disclosed
WO-1994011021-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1994-05-26 — — WO disclosed
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