SCHEMBL8516771

SCHEMBL8516771

c1ccc2c(c1)Oc1ccccc1C2[C]1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CYP2C9 P11712 1/20 0.47
ATM Q13315 3/20 0.47
NISCH Q9Y2I1 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL28627118 0.83 MAOA (0.45) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL9297178 0.79 HTR2A (0.48) MAOAHDAC3HDAC4HDAC7HDAC8
SCHEMBL8516774 0.73 MAOA (0.54) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL40368 0.73 CYP2C9 (0.55) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL29413779 0.72 MAOA (0.58) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL88261 0.72 MAOA (0.58) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL2736398 0.71 MAOA (0.52) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL19458502 0.71 MAOA (0.64) MAOAMAOBCYP2C9ATMNISCH
SCHEMBL19537981 0.70 MAPK1 (0.61) MAOAMAOBATMCYP1A2CYP2D6
SCHEMBL5693983 0.70 MAPK1 (0.61) MAOAMAOBATMCYP1A2CYP2D6

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-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP claimed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO claimed