SCHEMBL8306853

SCHEMBL8306853

ClCc1ccc(C=Cc2ccc3ccc(Cl)cc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.45
CYSLTR2 Q9NS75 4/20 0.45
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHFR P00374 1/20 0.42
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABCC1 P33527 2/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCC5 O15440 1/20 0.39

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
SCHEMBL8306852 1.00 CYSLTR1 (0.45) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL8138020 0.85 CYSLTR1 (0.53) CYSLTR1CYSLTR2MEN1KMT2AABCC1
SCHEMBL8138011 0.85 CYSLTR1 (0.53) CYSLTR1CYSLTR2MEN1KMT2AABCC1
SCHEMBL10421430 0.82 KDM4E (0.65) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL6969863 0.82 CYSLTR2 (0.48) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL10421429 0.82 KDM4E (0.65) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL8301807 0.82 RAB9A (0.68) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL8301808 0.82 RAB9A (0.68) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL6969865 0.82 CYSLTR2 (0.48) CYSLTR1CYSLTR2KDM4ERAB9ANPC1
SCHEMBL6750524 0.81 KDM4E (0.67) CYSLTR1CYSLTR2KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
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
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed