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Sugi Predict / Compounds / SCHEMBL6187520

SCHEMBL6187520

SCHEMBL6187520

COC1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1.c1ccc(Cn2c(CN3CC4CC3CO4)nnc2C2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 16/20 0.63
▸ EHMT2 Q96KQ7 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CHI3L1 P36222 1/20 0.37
▸ CHIT1 Q13231 1/20 0.37
▸ CHIA Q9BZP6 1/20 0.37

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
SCHEMBL5213555 0.91 AVPR1A (0.65) AVPR1ACHI3L1CHIT1CHIA
SCHEMBL3105995 0.88 AVPR1A (0.77) AVPR1AEHMT2NPC1MAPTHTT
SCHEMBL5213904 0.84 AVPR1A (0.71) AVPR1AEHMT2NPC1MAPTHTT
SCHEMBL5214235 0.84 AVPR1A (0.71) AVPR1AEHMT2NPC1MAPTHTT
SCHEMBL5694605 0.78 AVPR1A (0.61) AVPR1AEHMT2
SCHEMBL5212353 0.77 AVPR1A (0.82) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5218432 0.76 AVPR1A (1.00) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5214851 0.76 AVPR1A (0.81) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5212834 0.75 AVPR1A (0.72) AVPR1ACHI3L1
SCHEMBL5215730 0.75 AVPR1A (0.78) AVPR1ANPC1MAPTHTTRAB9A

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
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