SCHEMBL8810684

SCHEMBL8810684

Nc1c2c(nc3ccccc13)-c1cccnc1CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.66
BCHE P06276 11/20 0.66
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CACNB4 O00305 1/20 0.49
CACNA1A O00555 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
ABCC4 O15439 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNG3 O60359 1/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1H O95180 1/20 0.49
APP P05067 1/20 0.49
FABP1 P07148 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL6492556 0.80 ACHE (1.00) ACHEBCHEALDH1A1KDM4E
SCHEMBL6491511 0.74 BCHE (1.00) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL8022641 0.73 ACHE (0.81) ACHEBCHEALDH1A1KDM4ELMNA
SCHEMBL12043418 0.72 ACHE (1.00) ACHEBCHE
SCHEMBL8005649 0.71 ACHE (0.78) ACHEBCHEALDH1A1KDM4E
SCHEMBL9584109 0.69 ACHE (0.58) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL9583451 0.69 ACHE (0.62) ACHEBCHEALDH1A1KDM4ETHRB
SCHEMBL9550534 0.68 BCHE (0.65) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL2067900 0.68 DHODH (0.49) ACHEBCHEALDH1A1TSHRHSD17B10
Tacrine SCHEMBL1650622 0.67 ACHE (0.93) ACHEBCHEALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996018611-A2 BENZOPHENANTHROLINES AND RELATED FUSED ACRIDINES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1996-06-20 WO claimed
WO-1996018611-A3 BENZOPHENANTHROLINES AND RELATED FUSED ACRIDINES UNIV CARDIFF (GB) 1997-02-13 WO disclosed
WO-1996018611-A2 BENZOPHENANTHROLINES AND RELATED FUSED ACRIDINES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1996-06-20 WO disclosed
WO-1996018611-A2 BENZOPHENANTHROLINES AND RELATED FUSED ACRIDINES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1996-06-20 WO disclosed