SCHEMBL7925962

SCHEMBL7925962

COc1ccccc1CC(N)N1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTR7 P34969 2/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL12610952 0.76 DRD4 (0.51) CYP2D6KCNH2TSHRHTT
SCHEMBL7925969 0.74 CCR3 (0.62) CCR3MEN1KMT2AMAPTLMNA
SCHEMBL18840883 0.71 CCR3 (1.00) CCR3MEN1KMT2ATSHRTP53
SCHEMBL27263413 0.71 POLB (0.38) KMT2AHTR7MAPTLMNAKDM4E
SCHEMBL8957751 0.70 DRD2 (0.58) HTR7MAPTLMNAKDM4EALOX15
SCHEMBL9638844 0.70 IDO1 (0.57) MEN1KMT2AHTR7CYP2D6SLC6A2
SCHEMBL7925965 0.70 CCR3 (0.61) CCR3MEN1KMT2AKCNH2MAPT
SCHEMBL12706123 0.70 IDO1 (0.52) MEN1KMT2AHTR7CYP2D6SLC6A2
SCHEMBL5498735 0.69 DRD2 (0.61) MEN1KMT2AHTR7MAPTLMNA
SCHEMBL30724862 0.69 DRD2 (0.61) MEN1KMT2AHTR7MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235732-B1 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-05-22 US disclosed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 US disclosed
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed