SCHEMBL6768880

SCHEMBL6768880

NC(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.64
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR5 P51681 1/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
KCNH2 Q12809 2/20 0.48
ATM Q13315 1/20 0.46
KCNA3 P22001 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL6770148 0.84 CCR2 (0.81) CCR2MEN1KMT2AATMKCNA3
SCHEMBL11848227 0.80 CCR2 (0.73) CCR2ATMKCNA3
Hydrochloric Acid SCHEMBL11838606 0.78 CCR2 (0.71) CCR2ATMKCNA3
SCHEMBL2907506 0.78 HDAC1 (0.65) GAAMEN1KMT2AHDAC1OPRM1
SCHEMBL6770934 0.78 CCR2 (1.00) CCR2GAACCR5
Fumaric Acid SCHEMBL11848804 0.77 CCR2 (0.59) CCR2KMT2ACCR5ATMKCNA3
Fumaric Acid SCHEMBL11848798 0.77 CCR2 (0.59) CCR2KMT2ACCR5ATMKCNA3
SCHEMBL2912150 0.77 HRH3 (0.64) GAAMEN1KMT2AHDAC1
SCHEMBL6765593 0.76 CCR2 (0.57) CCR2CCR5KCNA3OPRM1
SCHEMBL3671761 0.76 SIGMAR1 (0.59) CCR5

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