SCHEMBL5216233

SCHEMBL5216233

O=C(OCc1ccccc1)ON1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.67
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.40

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
SCHEMBL5214878 0.88 AVPR1A (0.69) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5213181 0.82 AVPR1A (0.77) AVPR1AHTR7ALDH1A1HPGD
SCHEMBL5212353 0.81 AVPR1A (0.82) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5214851 0.81 AVPR1A (0.81) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5218432 0.79 AVPR1A (1.00) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5215730 0.79 AVPR1A (0.78) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5211608 0.79 AVPR1A (0.84) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5216457 0.79 AVPR1A (0.77) AVPR1AMAPTALDH1A1KDM4ETSHR
SCHEMBL3105995 0.78 AVPR1A (0.77) AVPR1AHTTMAPTNPC1RAB9A
SCHEMBL5845867 0.77 AVPR1A (0.76) AVPR1A

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