SCHEMBL9669643

SCHEMBL9669643

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TRPV1 Q8NER1 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9669803 0.93 KMT2A (0.46) KMT2AMEN1TRPV1MAPTHTT
SCHEMBL8532689 0.88 GPR84 (0.49) KMT2AMEN1TRPV1MAPTGPR84
SCHEMBL8533040 0.84 GPR84 (0.46) KMT2AMEN1TRPV1MAPTHTT
SCHEMBL8533902 0.84 GPR84 (0.46) KMT2AMEN1TRPV1MAPTHTT
SCHEMBL9669804 0.84 TDP1 (0.48) KMT2AMEN1TRPV1LMNAGPR84
SCHEMBL8532302 0.83 GPR84 (0.45) KMT2AMEN1TRPV1MAPTGPR84
SCHEMBL9669701 0.83 GPR84 (0.57) KMT2AMEN1TRPV1MAPTHTT
SCHEMBL8533704 0.83 TRPV1 (0.54) KMT2AMEN1TRPV1MAPTGPR84
SCHEMBL3671157 0.81 GPR84 (0.42) KMT2AMEN1TRPV1MAPTGPR84
SCHEMBL9372304 0.79 ALDH1A1 (0.42) KMT2AMEN1TRPV1MAPTLMNA

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
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