SCHEMBL6919865

SCHEMBL6919865

CC1(N)CCC(Oc2cccc3cccnc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
MCHR1 Q99705 5/20 0.47
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
KDM4E B2RXH2 4/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
PTPN11 Q06124 1/20 0.40
SLC9A3 P48764 1/20 0.40
POLB P06746 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
SCHEMBL29506919 0.84 DDB1 (0.56) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL9050436 0.81 MCHR1 (0.57) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL4887893 0.81 MCHR1 (0.61) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL6922462 0.80 MCHR1 (0.51) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL6919858 0.80 MCHR1 (0.51) DDB1CRBNMCHR1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL9051831 0.80 MCHR1 (0.56) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL9632180 0.80 MCHR1 (0.64) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL3129814 0.79 DDB1 (0.51) DDB1CRBNMCHR1HCRTR1HCRTR2
SCHEMBL3715640 0.77 DDB1 (0.53) DDB1CRBNMCHR1KDM4EMAPT
SCHEMBL20064518 0.74 SLC9A3 (0.48) DDB1CRBNMCHR1HCRTR1HCRTR2

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-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed