SCHEMBL9003283

SCHEMBL9003283

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2N)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.54
GPR119 Q8TDV5 3/20 0.53
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
HSD11B1 P28845 1/20 0.50
MGLL Q99685 1/20 0.50
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL26911742 0.87 NAMPT (0.44) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL3813527 0.86 STS (0.62) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL31358021 0.85 ALDH1A1 (0.53) GPR119HSD11B1HPGDKDM4EKMT2A
SCHEMBL13261261 0.85 STS (0.54) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL15566640 0.85 STS (0.54) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL14655077 0.84 KMT2A (0.56) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL1817004 0.82 MGLL (0.54) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL13261141 0.82 STS (0.52) STSGPR119PTPN2PTPN1PTPN6
SCHEMBL4960694 0.81 POLB (0.58) GPR119KDM4EPKMKMT2A
SCHEMBL3151354 0.81 POLB (0.61) GPR119HSD11B1MGLLKMT2A

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-5521175-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST FOR PHYSIOLOGICAL DISORDERS MERCK SHARP & DOHME LTD. (GB) 1996-05-28 US disclosed
WO-1994003447-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO disclosed