SCHEMBL6770020

SCHEMBL6770020

O=C(c1ccccc1)N1CCCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 1/20 0.54
KCNA5 P22460 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HPGD P15428 1/20 0.54
MAOB P27338 1/20 0.54
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
CCR2 P41597 2/20 0.52
GRIN2B Q13224 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
KCNA3 P22001 1/20 0.50

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
SCHEMBL6768747 0.86 MEN1 (0.53) KMT2AMEN1KCNH2SIGMAR1KCNA5
SCHEMBL6768750 0.86 HRH3 (0.55) KMT2AMEN1KCNH2HPGDCCR2
SCHEMBL14366509 0.85 KMT2A (0.71) KMT2AMEN1KCNH2SIGMAR1KCNA5
SCHEMBL7634958 0.82 KMT2A (0.71) KMT2AMEN1KCNH2SIGMAR1KCNA5
SCHEMBL25238918 0.81 MEN1 (0.89) KMT2AMEN1KCNH2SIGMAR1KCNA5
SCHEMBL6765593 0.80 CCR2 (0.57) ALDH1A1CCR2KCNA3
SCHEMBL8624565 0.79 CCR5 (0.48) CCR2
SCHEMBL2115962 0.79 ADRB1 (0.61) SIGMAR1HTR2A
SCHEMBL8572593 0.79 CCR2 (0.56) ALDH1A1CCR2KCNA3
SCHEMBL2614241 0.79 HPGD (0.84) SIGMAR1HPGDMAOBALDH1A1USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed