SCHEMBL9669804

SCHEMBL9669804

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(C(=O)NCC4CCCC4)cc23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HTR4 Q13639 2/20 0.43
TRPV1 Q8NER1 3/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MAPK14 Q16539 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL9669740 0.93 TDP1 (0.48) TDP1HTR4TRPV1ROCK2ROCK1
SCHEMBL8998195 0.87 TDP1 (0.42) TDP1HTR4TRPV1ROCK2ROCK1
SCHEMBL9669675 0.86 ALDH1A1 (0.42) TDP1HTR4TRPV1ROCK2ROCK1
SCHEMBL9667839 0.86 TDP1 (0.43) TDP1HTR4TRPV1ROCK2ROCK1
SCHEMBL8532689 0.85 GPR84 (0.49) TRPV1ALDH1A1MEN1KMT2AGPR84
SCHEMBL10770909 0.85 TDP1 (0.42) TDP1HTR4TRPV1ROCK2ROCK1
SCHEMBL10469556 0.84 CYSLTR2 (0.44) TDP1PDE4DMAPK14MEN1KMT2A
SCHEMBL9668038 0.84 TDP1 (0.46) TDP1ROCK2ROCK1ALDH1A1LMNA
SCHEMBL9669728 0.84 GPR84 (0.39) TRPV1ROCK2MEN1KMT2AGPR84
SCHEMBL9669643 0.84 KMT2A (0.46) TRPV1LMNASMN1; SMN2MEN1KMT2A

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
EP-0220066-B1 CARBOXAMIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-03-25 EP disclosed
US-5049679-A Leukotriene antagonists ICI AMERICAS INC. (US) 1991-09-17 US disclosed
US-5049576-A Leukotriene antagonists ICI AMERICAS INC. (US) 1991-09-17 US disclosed
US-4918094-A Carboxamide derivatives of indoles and leucotriene antagonizing use thereof ICI AMERICAS INC. (US) 1990-04-17 US disclosed
EP-0220066-A2 Carboxamide derivatives ICI AMERICAS INC. (US) 1987-04-29 EP disclosed