SCHEMBL11544656

SCHEMBL11544656

Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAMPT P43490 3/20 0.51
TRPV1 Q8NER1 3/20 0.51
PRKAB2 O43741 4/20 0.49
PRKAG1 P54619 4/20 0.49
PRKAA2 P54646 4/20 0.49
PRKAA1 Q13131 4/20 0.49
PRKAG3 Q9UGI9 4/20 0.49
PRKAG2 Q9UGJ0 4/20 0.49
PRKAB1 Q9Y478 4/20 0.49
HPGDS O60760 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL11543560 0.95 KDM4E (0.58) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL11545445 0.92 PRKAB2 (0.56) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL11541904 0.91 PDGFRB (0.53) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL11542120 0.91 PRKAB2 (0.54) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL11545275 0.91 PRKAB2 (0.59) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL28845655 0.90 MAPKAPK2 (0.53) PDGFRBMAPTNAMPTMAPKAPK2MEN1
SCHEMBL11542636 0.90 PDGFRB (0.53) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL11541414 0.88 HTT (0.45) PDGFRBKDM4EMAPTNPSR1MAPKAPK2
SCHEMBL11541218 0.87 HPGDS (0.57) PDGFRBCNR1CNR2KDM4EMAPT
SCHEMBL11734243 0.87 MAPKAPK2 (0.61) NAMPTMAPKAPK2EPHX2

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-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US claimed
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed