SCHEMBL7096911

SCHEMBL7096911

COc1cccc([C@@H]2C[C@H]2N)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.66
HTR2A P28223 2/20 0.66
HTR2B P41595 2/20 0.66
KDM1A O60341 9/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
SLC9A1 P19634 1/20 0.55
DPP4 P27487 2/20 0.53
KDM1B Q8NB78 2/20 0.51

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
SCHEMBL7865958 1.00 HTR2C (0.66) HTR2CHTR2AHTR2BKDM1AMAOA
SCHEMBL7096910 1.00 HTR2C (0.66) HTR2CHTR2AHTR2BKDM1AMAOA
Hydrochloric Acid SCHEMBL8156348 0.98 HTR2C (0.67) HTR2CHTR2AHTR2BKDM1AMAOA
Hydrochloric Acid SCHEMBL8156350 0.98 HTR2C (0.67) HTR2CHTR2AHTR2BKDM1AMAOA
Hydrochloric Acid SCHEMBL7000161 0.98 HTR2C (0.67) HTR2CHTR2AHTR2BKDM1AMAOA
Hydrochloric Acid SCHEMBL7000158 0.98 HTR2C (0.67) HTR2CHTR2AHTR2BKDM1AMAOA
SCHEMBL12971944 0.93 HTR2A (0.59) HTR2CHTR2AHTR2BKDM1AMAOA
SCHEMBL8333649 0.83 HTR2C (0.63) HTR2CHTR2AHTR2BKDM1AMAOA
SCHEMBL4253059 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BKDM1ASLC9A1
SCHEMBL10263051 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BKDM1ASLC9A1

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-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed