SCHEMBL3363972

SCHEMBL3363972

COc1cc2c(CC(=O)N3CCC(Cc4ccccc4)CC3)cnc(CN)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CCR3 P51677 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45

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
Hydrochloric Acid SCHEMBL3365081 0.99 DPP4 (0.52) DPP4MEN1KMT2ACCR3CYP2C9
SCHEMBL3360363 0.84 CCR3 (0.44) MEN1KMT2ACCR3CYP2C9CYP2C19
SCHEMBL3365200 0.79 DPP4 (0.53) DPP4MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL3362385 0.78 DPP4 (0.54) DPP4MEN1KMT2AALDH1A1HPGD
SCHEMBL3362127 0.74 DPP4 (0.60) DPP4MAPK1
Hydrochloric Acid SCHEMBL3361829 0.73 DPP4 (0.61) DPP4MAPK1
SCHEMBL3361000 0.72 DPP4 (0.61) DPP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3362995 0.72 DPP4 (0.61) DPP4MEN1KMT2AALDH1A1
SCHEMBL23682656 0.70 TACR3 (0.83) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL7362106 0.69 ALDH1A1 (0.64) MEN1KMT2ACYP2C9CYP2C19MAPK14

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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed