SCHEMBL7925965

SCHEMBL7925965

COc1ccccc1CCNN1CCN(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.61
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SIGMAR1 Q99720 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNH2 Q12809 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 3/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 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
SCHEMBL18840883 0.76 CCR3 (1.00) CCR3MEN1KMT2ATP53TSHR
SCHEMBL27413682 0.75 DRD2 (0.56) MEN1KMT2ASIGMAR1MAPTALDH1A1
SCHEMBL27678018 0.72 SIGMAR1 (0.53) KMT2ASIGMAR1MAPTTSHRKCNH2
SCHEMBL4252810 0.71 CHRNA7 (0.58) MEN1KMT2ASIGMAR1MAPTALDH1A1
SCHEMBL8828510 0.70 DRD2 (0.62) SIGMAR1MAPTALDH1A1KDM4EMAPK1
SCHEMBL21243265 0.70 MPO (0.70) MEN1KMT2ATP53MAPTTSHR
SCHEMBL7925962 0.70 CCR3 (0.55) CCR3MEN1KMT2ATP53MAPT
SCHEMBL681494 0.69 MTNR1A (0.62) SIGMAR1MAPTALDH1A1GAAMTNR1A
SCHEMBL28272519 0.69 DRD2 (0.64) SIGMAR1GAAL3MBTL1
SCHEMBL29054138 0.68 MTNR1A (0.57) SIGMAR1ALDH1A1L3MBTL1MTNR1AMTNR1B

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