SCHEMBL5216448

SCHEMBL5216448

CCC(c1ccccc1)n1c(C)nnc1C1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.48
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 3/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL5215084 1.00 AVPR1A (0.48) AVPR1AALDH1A1LMNAACHEHTR1A
SCHEMBL5214278 0.90 AVPR1A (0.47) AVPR1AACHEHTR1A
SCHEMBL5214267 0.90 AVPR1A (0.47) AVPR1AACHEHTR1A
SCHEMBL5214155 0.85 AVPR1A (0.49) AVPR1ALMNAACHEHTR1A
SCHEMBL5215700 0.76 AVPR1A (0.78) AVPR1AALDH1A1
SCHEMBL5215932 0.74 AVPR1A (0.65) AVPR1A
SCHEMBL5005694 0.73 AVPR1A (0.60) AVPR1A
SCHEMBL5215088 0.72 AVPR1A (0.60) AVPR1AACHE
SCHEMBL5212381 0.71 HTR1A (0.40) AVPR1AALDH1A1LMNAACHEHTR1A
SCHEMBL5212390 0.71 HTR1A (0.40) AVPR1AALDH1A1LMNAACHEHTR1A

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
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP claimed