SCHEMBL7935240

SCHEMBL7935240

COc1ccccc1NC(=O)NCC(c1ccccc1)N1CCN(C)CC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.80
TP53 P04637 1/20 0.62
SLC1A2 P43004 1/20 0.61
HCN1 O60741 1/20 0.61
HCN4 Q9Y3Q4 1/20 0.61
GAA P10253 1/20 0.61
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL18840868 0.89 CCR3 (1.00) CCR3TP53HCN1HCN4GAA
SCHEMBL7934793 0.85 CCR3 (0.82) CCR3
SCHEMBL7938472 0.84 CCR3 (0.59) CCR3TP53SLC1A2MEN1KMT2A
SCHEMBL7932702 0.83 MEN1 (0.70) CCR3TP53SLC1A2MEN1KMT2A
SCHEMBL7932599 0.81 CCR3 (0.71) CCR3SLC1A2HCN1HCN4MEN1
SCHEMBL7938483 0.80 GAA (0.76) CCR3GAAMEN1KMT2AMAPT
SCHEMBL18840915 0.76 CCR3 (1.00) CCR3
SCHEMBL25431561 0.76 SLC1A2 (1.00) CCR3TP53SLC1A2GAAMEN1
SCHEMBL31367937 0.76 SLC1A2 (1.00) CCR3TP53SLC1A2GAAMEN1
SCHEMBL30482357 0.76 SLC1A2 (1.00) CCR3TP53SLC1A2GAAMEN1

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-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US claimed
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