SCHEMBL22010771

SCHEMBL22010771

CC(C)(C)OC(=O)N1CC2C=C(c3ccc(Oc4ccc(C#N)cc4)cc3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.48
BTK Q06187 4/20 0.42
EGLN2 Q96KS0 3/20 0.41
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
AR P10275 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
SCHEMBL22010769 1.00 GPR119 (0.48) GPR119BTKEGLN2CCNT1CDK9
SCHEMBL22010505 0.91 BTK (0.42) GPR119BTKEGLN2CCNT1CDK9
SCHEMBL22010486 0.91 BTK (0.42) GPR119BTKEGLN2CCNT1CDK9
SCHEMBL30161685 0.87 BTK (0.52) GPR119BTKCCNT1CDK9
SCHEMBL22010906 0.87 BTK (0.52) GPR119BTKCCNT1CDK9
SCHEMBL22010468 0.85 BTK (0.47) GPR119BTKCCNT1CDK9
SCHEMBL22010469 0.85 BTK (0.47) GPR119BTKCCNT1CDK9
SCHEMBL22010768 0.85 CCNT1 (0.43) GPR119BTKCCNT1CDK9AR
SCHEMBL22011512 0.85 CCNT1 (0.43) GPR119BTKCCNT1CDK9AR
SCHEMBL22011041 0.82 BTK (0.44) GPR119BTKCCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed