SCHEMBL7463190

SCHEMBL7463190

O=C(O)c1ccc(N2CCCCC2Nc2ncccn2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.40
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39
NR3C2 P08235 1/20 0.39
EPHX2 P34913 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
RECQL P46063 1/20 0.35
ABL1 P00519 2/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PDE4B Q07343 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 2/20 0.34
AVPR2 P30518 1/20 0.34

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
SCHEMBL7051584 0.87 KDM4E (0.37) NR3C2CDK4CCND1MAPK8CAMKK1
SCHEMBL7469676 0.85 RBP4 (0.36) CDK4CCND1
SCHEMBL7470661 0.85 OPRK1 (0.42) CDK4CCND1ALDH1A1RAB9AMAPT
SCHEMBL7053331 0.82 HCAR3 (0.40) CDK4CCND1ALDH1A1LMNARAB9A
SCHEMBL6497602 0.81 MEN1 (0.49) MYCNR4A1CDK4CCND1RECQL
SCHEMBL7467119 0.81 GAA (0.40) CDK4CCND1ALDH1A1MEN1KMT2A
SCHEMBL7468832 0.80 TDP1 (0.39) EPHX2RECQLALDH1A1MEN1KMT2A
SCHEMBL7461760 0.78 ITGB3 (0.48)
SCHEMBL382582 0.78 USP2 (0.40) CDK4CCND1ALDH1A1SMN1; SMN2
SCHEMBL7463196 0.77 PPARA (0.41) EPHX2MAPK8AVPR2DGAT1

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