SCHEMBL6753603

SCHEMBL6753603

COc1ccc([C@@H]2C[C@H]2N(C)C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
HTR2C P28335 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 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
SCHEMBL6753602 1.00 KDM1A (0.49) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8332789 0.82 SLC9A1 (0.51) MEN1KMT2AHTR2CALDH1A1HPGD
SCHEMBL7002740 0.80 MAOA (0.51) KDM1AMAOAMAOBMAPTHTR2C
SCHEMBL7003744 0.78 DRD2 (0.42) L3MBTL1SLC6A3ALDH1A1LMNADRD2
SCHEMBL7096961 0.76 CHRNA7 (0.49) KDM1AMAOAMAOB
SCHEMBL7096959 0.76 CHRNA7 (0.49) KDM1AMAOAMAOB
SCHEMBL11064728 0.75 KDM1A (0.72) KDM1AMAOAMAOBMAPTHTR2C
SCHEMBL11064726 0.75 KDM1A (0.72) KDM1AMAOAMAOBMAPTHTR2C
SCHEMBL7130677 0.75 KDM1A (0.45) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL7446687 0.75 KDM1A (0.45) KDM1AMAOAMAOBMEN1KMT2A

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
US-6713483-B1 TREATING PLATELET AGGREGATION DISORDER ASTRAZENECA AB (SE) 2004-03-30 US disclosed
EP-1232156-B1 [1,2,3]-TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-06-04 EP disclosed