SCHEMBL6615080

SCHEMBL6615080

O=C(c1ccc(F)cc1F)c1cccc2c1Nc1ncccc1CN2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
AVPR2 P30518 3/20 0.38
IDH1 O75874 9/20 0.37
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL6616672 0.82 AVPR2 (0.49) AVPR2IDH1
SCHEMBL6615939 0.82 AVPR2 (0.62) AVPR2
SCHEMBL7508188 0.79 IDH1 (0.39) AVPR2IDH1MAPK14MAPK13MAPK12
SCHEMBL7392203 0.76 MAPT (0.36) KDM4EAVPR2IDH1POLBMAPT
SCHEMBL7510097 0.74 AVPR2 (0.41) AVPR2
SCHEMBL7451415 0.74 AVPR2 (0.39) AVPR2IDH1AKT1
SCHEMBL7505774 0.74 P2RX3 (0.34) AVPR2IDH1
SCHEMBL7319398 0.74 MAPK14 (0.34) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL6615066 0.73 AVPR2 (0.64) AVPR2IDH1
SCHEMBL7390951 0.73 NPC1 (0.41) KDM4EPOLBMAPTTDP1L3MBTL1

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-1000059-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-29 EP disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed