SCHEMBL6961783

SCHEMBL6961783

O=C(CCCl)N1CCc2ccc(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD4 P21917 2/20 0.58
XIAP P98170 1/20 0.54
TSHR P16473 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NOTUM Q6P988 5/20 0.48
AKT1 P31749 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL6966671 0.84 NOTUM (0.64) DRD2DRD4XIAPTSHRMAPT
SCHEMBL6960678 0.83 DRD2 (0.58) DRD2DRD4XIAPTSHRMAPT
SCHEMBL6960804 0.83 TSHR (0.51) DRD2DRD4TSHRMAPTKMT2A
SCHEMBL26691140 0.80 DRD2 (0.54) DRD2DRD4XIAPTSHRCHRM2
SCHEMBL6970556 0.80 XIAP (0.57) DRD2DRD4XIAPTSHRCHRM2
SCHEMBL27447403 0.80 TSHR (0.48) DRD2DRD4XIAPTSHRMAPT
SCHEMBL6962584 0.80 BIRC2 (0.57) DRD2XIAPTSHRMAPTKMT2A
SCHEMBL4637311 0.79 TSHR (0.81) DRD2DRD4TSHRMAPTKMT2A
SCHEMBL6966940 0.79 DRD2 (0.61) DRD2DRD4TSHRMAPTKMT2A
SCHEMBL4108434 0.79 NOTUM (0.55) DRD2DRD4XIAPTSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
CN-1059904-C Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2000-12-27 CN disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed