SCHEMBL7723486

SCHEMBL7723486

COc1ccc(-c2cc(NC(=O)OCc3ccccc3)c(=O)n(CCCc3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
MAPT P10636 1/20 0.48
ELANE P08246 2/20 0.45
DHODH Q02127 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL7730095 0.93 MAPT (0.55) TACR3NPC1RAB9APDE4APDE4B
SCHEMBL7724767 0.82 NPC1 (0.54) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL7723462 0.81 PDE4A (0.54) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL7730352 0.81 MAPT (0.67) TACR3RAB9APDE4APDE4BPDE4C
SCHEMBL7730092 0.80 TACR3 (0.49) TACR3MAPTELANEDHODHLMNA
SCHEMBL7730090 0.80 TACR3 (0.49) TACR3MAPTELANEDHODHLMNA
SCHEMBL7720142 0.72 MAPT (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7730177 0.71 L3MBTL1 (0.49) RAB9AMAPTFAAHLMNA
SCHEMBL7730097 0.71 LMNA (0.48) NPC1RAB9AMAPTLMNA
SCHEMBL17379994 0.71 TACR3 (1.00) TACR3NPC1RAB9ADHODH

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
US-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP disclosed