SCHEMBL6604789

SCHEMBL6604789

COc1ccc(C2=NN(C(=O)c3ccc(N)cc3)CCC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.59
ALDH1A1 P00352 4/20 0.57
POLB P06746 1/20 0.57
PGR P06401 14/20 0.55
GAA P10253 1/20 0.53
PDE4B Q07343 1/20 0.52
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL3921987 0.92 ALDH1A1 (0.52) MAOBALDH1A1POLBPGRGAA
SCHEMBL3920897 0.92 ALDH1A1 (0.52) MAOBALDH1A1POLBPGRGAA
SCHEMBL6602525 0.91 ALDH1A1 (0.51) MAOBALDH1A1POLBPGRGAA
SCHEMBL6602629 0.90 PDE4B (0.55) MAOBALDH1A1POLBPGRGAA
SCHEMBL3927077 0.90 ALDH1A1 (0.50) MAOBALDH1A1POLBPGRGAA
SCHEMBL5202917 0.88 MAOB (0.56) MAOBALDH1A1POLBPGRGAA
SCHEMBL6602412 0.88 ALDH1A1 (0.52) MAOBALDH1A1POLBPGRGAA
SCHEMBL3929866 0.88 ALDH1A1 (0.55) MAOBALDH1A1POLBPGRGAA
SCHEMBL5205767 0.86 PGR (0.52) MAOBALDH1A1POLBPGRGAA
SCHEMBL6606027 0.85 PGR (0.70) MAOBALDH1A1POLBPGRGAA

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-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed