SCHEMBL8998166

SCHEMBL8998166

COC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)NCC4CCCC4)cc23)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.55
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SNCA P37840 1/20 0.45
HTR4 Q13639 1/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL8528458 0.85 GPR84 (0.73) GPR84CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL9669804 0.82 TDP1 (0.48) GPR84TDP1TRPV1MEN1KMT2A
SCHEMBL8951494 0.82 CYSLTR2 (0.59) GPR84CYSLTR2CYSLTR1
SCHEMBL10765512 0.82 GPR84 (0.55) GPR84CYSLTR2CYSLTR1TDP1TRPV1
SCHEMBL9669701 0.81 GPR84 (0.57) GPR84CYSLTR2CYSLTR1TRPV1MEN1
SCHEMBL8427130 0.81 GPR84 (0.67) GPR84CYSLTR2CYSLTR1CPT1ACPT1B
SCHEMBL9669799 0.81 CYSLTR1 (0.55) CYSLTR2CYSLTR1
SCHEMBL8951119 0.79 CYSLTR1 (0.73) GPR84CYSLTR2CYSLTR1TDP1MEN1
SCHEMBL9667839 0.79 TDP1 (0.43) GPR84TDP1TRPV1MEN1KMT2A
SCHEMBL27273115 0.78 GPR84 (0.63) GPR84CYSLTR2CYSLTR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP disclosed
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
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed
EP-0220066-A2 Carboxamide derivatives ICI AMERICAS INC. (US) 1987-04-29 EP disclosed