SCHEMBL2467671

SCHEMBL2467671

CC(C)(C)[C@@H]1C(NCCNCCC(c2ccccc2)c2ccccc2)CCCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
FKBP1A P62942 4/20 0.46
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCR2 P41597 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL20986580 0.75 LMNA (0.35) DPP4ALDH1A1KDM4EMAPTLMNA
SCHEMBL20986906 0.74 PREP (0.50) DPP4FKBP1AALDH1A1KDM4EMAPT
SCHEMBL2220706 0.73 RAB9A (0.38) DPP4KDM4EMAPTLMNA
SCHEMBL3807599 0.72 RIPK1 (0.43) DPP4FKBP1AALDH1A1KDM4ELMNA
SCHEMBL6264470 0.72 KDM4E (0.47) DPP4EPHX2ALDH1A1KDM4EMAPT
SCHEMBL2430031 0.72 USP30 (0.56) DPP4EPHX2KDM4E
SCHEMBL2430029 0.72 USP30 (0.56) DPP4EPHX2KDM4E
SCHEMBL2247974 0.70 HSD17B10 (0.35) DPP4KDM4EMAPTLMNA
SCHEMBL7018182 0.70 LMNA (0.36) DPP4LMNA
SCHEMBL6422872 0.70 LMNA (0.36) DPP4LMNA

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
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed