SCHEMBL7304489

SCHEMBL7304489

COc1ccc2c(c1OC)CC(c1ccccc1)C(CN)C2O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37
TUBA1C Q9BQE3 3/20 0.37
TUBB6 Q9BUF5 3/20 0.37
TUBB2B Q9BVA1 3/20 0.37
TUBB1 Q9H4B7 3/20 0.37
HTR2C P28335 2/20 0.36
HTR2A P28223 2/20 0.36

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
SCHEMBL7439134 0.82 KDM1A (0.36) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL7439138 0.82 KDM1A (0.36) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL9040240 0.81 KDM1A (0.37) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL9039255 0.81 KDM1A (0.37) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL9040854 0.80 KDM1A (0.35) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL9042337 0.80 KDM1A (0.35) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL10380075 0.76 ADRA1A (0.41) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL10380146 0.73 KDM1A (0.40) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL7443502 0.73 KDM1A (0.40) KDM1AMAOBMAOATUBB4ATUBB
SCHEMBL610523 0.73 KDM1A (0.32) KDM1AMAOBMAOAHTR2CHTR2A

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
US-4963568-A TREATMENT OF PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1990-10-16 US disclosed