SCHEMBL8828534

SCHEMBL8828534

COc1cc(CCN(C)CCC(C)NC(=O)C/C=C/c2ccc(-n3ccnc3)cc2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.41
MAOB P27338 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
PTAFR P25105 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8828347 0.89 POLB (0.40) CYP24A1MAOBPOLBALDH1A1SMN1; SMN2
SCHEMBL8828202 0.86 DRD3 (0.41) MAOBCYP11B1CYP11B2MAPK8MAPK10
Hydrochloric Acid SCHEMBL6368810 0.85 DRD3 (0.41) MAOBCYP11B1CYP11B2MAPK8MAPK10
SCHEMBL9155730 0.85 DRD3 (0.42) MAOBCYP11B1CYP11B2MAPK8MAPK10
SCHEMBL8828346 0.84 ADRB2 (0.40) CYP24A1MAOBCYP11B1CYP11B2MAPK8
SCHEMBL8828168 0.80 DRD3 (0.45) KDM4E
SCHEMBL9158719 0.79 DRD3 (0.46) KDM4E
SCHEMBL8828318 0.78 DRD3 (0.44) MAOBCYP11B1CYP11B2POLBMAPK8
SCHEMBL9231352 0.78 DRD3 (0.45) MAOBCYP11B1CYP11B2MAPK8MAPK10
SCHEMBL8828419 0.77 MAOB (0.38) CYP24A1MAOBALDH1A1HTTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650270-A DETECTABLE SIGNALS FOR LABELS AND ANALYZING NORTHEASTERN UNIVERSITY (US) 1997-07-22 US disclosed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed