SCHEMBL6602802

SCHEMBL6602802

Nc1ccc(CC(=O)N2CCCC(c3ccc4c(c3)OCO4)=N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
PGR P06401 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
RIPK2 O43353 1/20 0.39
RAB9A P51151 3/20 0.38
WDR5 P61964 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
PRKCZ Q05513 2/20 0.38
PRKCI P41743 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6601189 0.84 PGR (0.56) PGRALDH1A1CYP1A2CYP2C19POLB
SCHEMBL981460 0.83 USP2 (0.45) RAB9AALDH1A1NPC1
SCHEMBL982358 0.82 ALOX15 (0.47) MCHR1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL6601466 0.80 MAOB (0.56) PGRRAB9AALDH1A1
SCHEMBL981735 0.80 ALDH1A1 (0.58) MCHR1RAB9AALDH1A1NPC1
SCHEMBL6607048 0.78 NPC1 (0.52) RAB9AALDH1A1NPC1POLB
SCHEMBL6603625 0.76 MAOB (0.48) PGRRAB9AALDH1A1ATM
SCHEMBL6604734 0.75 PDE4B (0.43) PGRRAB9AALDH1A1POLB
SCHEMBL6604768 0.75 MAOB (0.47) RAB9AALDH1A1
SCHEMBL6601003 0.74 PDE4B (0.49)

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