SCHEMBL8878028

SCHEMBL8878028

N#CCOc1cccc2c1NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
CGAS Q8N884 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL27846115 0.80 SRC (0.44) SRCKMT2APDPK1PARP1PARP10
SCHEMBL4716745 0.76 MAPT (0.49) SRCHTR2C
SCHEMBL4976411 0.76 SRC (0.44) SRCPARP1HRH3
SCHEMBL29187808 0.75 S1PR5 (0.41) SRCPDE4DMEN1KMT2APARP1
SCHEMBL4795981 0.74 SRC (0.47) SRCPARP1
SCHEMBL10338609 0.74 ALDH1A1 (0.50) SRCMEN1KMT2A
SCHEMBL29187806 0.73 MCHR1 (0.43) SRCPDE4DMEN1FFAR1
SCHEMBL30826399 0.73 MCHR1 (0.43) SRCPDE4DMEN1FFAR1
SCHEMBL9814137 0.72 RXRA (0.49)
SCHEMBL1119880 0.72 PNMT (0.46) SRCPDPK1PARP1PARP10PARP11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622969-A ADMINISTERING TO HUMAN OR ANIMAL SUFFERING FROM ALLERGIC REACTION OF PULMONARY SYSTEM AND OTHER INFLAMMATORY DISORDERS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5569764-A USEFUL FOR TREATING ALLERGIC REACTIONS OF PULMONARY SYSTEM, ALLERGIC SKIN DISEASES, RHEUMATIC FEVER, CYSTIC FIBROSIS, AND VASCULAR DISEASES ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5486612-A FOR TREATING DISEASES WHICH LEUKOTRIENES MEDIATE ELI LILLY AND COMPANY (US) 1996-01-23 US disclosed
EP-0658554-A1 N-benzyl dihydroindole LTD4 antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed