SCHEMBL7723462

SCHEMBL7723462

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.51
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7724767 0.92 NPC1 (0.54) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7723670 0.87 MAPT (0.63) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7723486 0.81 TACR3 (0.55) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7730095 0.81 MAPT (0.55) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7720271 0.78 MAPT (0.64) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7724840 0.78 MAPT (0.61) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1925273 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7724970 0.77 CRHR1 (0.49) NPC1RAB9AMAPTGABRA1GABRB2
SCHEMBL7723615 0.77 SMN1; SMN2 (0.44) NPC1RAB9AMAPTGABRA1GABRB2
SCHEMBL5584601 0.77 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DDHODH

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