SCHEMBL7466384

SCHEMBL7466384

CCOC(=O)c1ccc(N2CCCCC2Nc2ncccn2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
NR1H2 P55055 3/20 0.40
KDM4E B2RXH2 1/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H3 Q13133 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7050641 0.88 OPRK1 (0.42) OPRK1NR1H2USP2MAPK1CDK4
SCHEMBL7466043 0.88 OPRK1 (0.43) OPRK1KDM4EUSP2MAPK1CDK4
SCHEMBL7469676 0.87 RBP4 (0.36) CDK4CCND1
SCHEMBL7470661 0.86 OPRK1 (0.42) OPRK1MAPK1CDK4CCND1HTT
SCHEMBL7054704 0.82 ALDH1A1 (0.45) OPRK1KDM4ETP53MAPK1HSD17B10
SCHEMBL7466392 0.81 OPRK1 (0.47) OPRK1NR1H2KDM4EUSP2TP53
SCHEMBL7468705 0.80 KDM4E (0.41) NR1H2KDM4EUSP2TP53MAPK1
SCHEMBL382148 0.79 MAPT (0.46) KDM4EUSP2MAPK1RECQLHSD17B10
SCHEMBL7051584 0.75 KDM4E (0.37) KDM4ECDK4CCND1MEN1MAPT
SCHEMBL7463190 0.73 GCK (0.40) RECQLCDK4CCND1TSHRMEN1

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed