SCHEMBL8181776

SCHEMBL8181776

Cc1ccc2ccc3c(c2n1)C1CCCC31

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
RAB9A P51151 1/20 0.48
CCR5 P51681 1/20 0.48
METAP2 P50579 1/20 0.42
PARP1 P09874 1/20 0.40
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
GLO1 Q04760 2/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.32
PAX8 Q06710 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
CRHBP P24387 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
SCHEMBL9015132 0.71 CYP1A2 (0.46) NOS3NOS1NOS2
SCHEMBL25312907 0.69 METAP2 (0.47) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL124563 0.68 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL11672280 0.68 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL29367091 0.68 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL29639703 0.68 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL13740154 0.68 CCR1 (0.48) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL17926728 0.66 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL5385744 0.66 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL1462062 0.66 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1

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
EP-0643045-B1 Quinoline derivatives as leukotriene antagonists NOVARTIS AG (CH) 2000-03-08 EP disclosed
EP-0643045-A1 Quinoline derivatives as leukoriene antagonists CIBA-GEIGY AG (CH) 1995-03-15 EP disclosed