SCHEMBL5216077

SCHEMBL5216077

CC(C)(C)OC(=O)N1CCCC1c1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.58
GPR119 Q8TDV5 1/20 0.53
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.42
AVPR2 P30518 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5847350 1.00 AVPR1A (0.58) AVPR1AGPR119MEN1ALDH1A1LMNA
SCHEMBL5216521 0.86 AVPR1A (0.56) AVPR1AGPR119
SCHEMBL5215077 0.80 GPR119 (0.57) GPR119MEN1ALDH1A1LMNATSHR
SCHEMBL5847261 0.80 GPR119 (0.57) GPR119MEN1ALDH1A1LMNATSHR
SCHEMBL5216708 0.79 AVPR1A (0.64) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5216694 0.78 AVPR1A (0.79) AVPR1AGPR119AVPR2KCNH2
SCHEMBL15244653 0.78 TP53 (0.50) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL5214016 0.77 AVPR1A (0.61) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5215290 0.75 AVPR1A (0.68) AVPR1AGPR119AVPR2KCNH2
SCHEMBL3847369 0.75 CCR1 (0.53) MEN1ALDH1A1LMNATSHRKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP claimed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP claimed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO claimed
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP disclosed
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP disclosed
EP-1656183-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION Pfizer Limited (GB) 2006-05-17 EP disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
WO-2005006899-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2005-01-27 WO disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO disclosed