SCHEMBL6330650

SCHEMBL6330650

CC1C=C(c2c(F)c(F)cc3ccoc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.33
NR1H3 Q13133 3/20 0.33
GPR119 Q8TDV5 3/20 0.31
ABCB1 P08183 2/20 0.31
GHSR Q92847 1/20 0.31
USP30 Q70CQ3 2/20 0.30
GRM5 P41594 2/20 0.30
GRM1 Q13255 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TNF P01375 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
RXRA P19793 2/20 0.30

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
SCHEMBL6334848 0.84 GYS1 (0.34) NR1H2NR1H3GPR119GHSRUSP30
SCHEMBL6339270 0.83 GYS1 (0.37) NR1H2NR1H3GPR119
SCHEMBL6340611 0.78 LMNA (0.33) NR1H2NR1H3GPR119GHSRUSP30
Hydrochloric Acid SCHEMBL7474626 0.77 CDK9 (0.32)
SCHEMBL6335122 0.73 TSHR (0.34) GHSRUSP30GRM5
SCHEMBL6338071 0.72 JAK2 (0.35) NR1H2NR1H3GPR119ABCB1USP30
SCHEMBL6330870 0.68 GYS1 (0.36) NR1H2NR1H3USP30GRM5GRM1
SCHEMBL6310341 0.67 MAPT (0.42) GRM5GRM1
Hydrochloric Acid SCHEMBL6333493 0.67 CCNT1 (0.33)
SCHEMBL16271998 0.67 GPR119 (0.47) GPR119GRM5GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed