SCHEMBL8306159

SCHEMBL8306159

N#CCCc1cccc2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
CHEK1 O14757 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.39
PDPK1 O15530 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL8301717 0.90 AHR (0.41) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL2261191 0.84 AHR (0.47) AHRKEAP1PDPK1BACE1
SCHEMBL1452618 0.77 AHR (0.47) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL27758138 0.77 AHR (0.47) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL1253323 0.77 AHR (0.47) AHRKEAP1PDPK1HTR2A
SCHEMBL2262208 0.77 AHR (0.47) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL34463040 0.77 AHR (0.47) AHRKEAP1PDPK1HTR2A
SCHEMBL6029507 0.74 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL3790923 0.74 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C
SCHEMBL31561732 0.74 AHR (0.44) AHRKEAP1PDPK1HTR2AHTR2C

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 9 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
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN 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
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN 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