SCHEMBL6770934

SCHEMBL6770934

O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 1.00
CCR5 P51681 3/20 0.57
HTR1A P08908 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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) CCR2ALDH1A1KDM4ESIGMAR1
SCHEMBL5626457 0.81 ALDH1A1 (0.74) CCR2ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL3156886 0.81 KDM4E (0.73) CCR2ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL11848227 0.80 CCR2 (0.73) CCR2KDM4ESIGMAR1LMNA
SCHEMBL6418223 0.79 CCR2 (0.65) CCR2CCR5HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL11838606 0.78 CCR2 (0.71) CCR2KDM4ESIGMAR1LMNA
SCHEMBL2206628 0.78 KDM4E (0.73) CCR2ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL6768880 0.78 CCR2 (0.64) CCR2CCR5GAA
SCHEMBL4483824 0.78 KDM4E (0.70) CCR2HTR1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4475769 0.78 KDM4E (0.70) CCR2HTR1AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9309877-A None JP disclosed
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
JP-H09309877-A CYCLIC DIAMINE DERIVATIVE AND ITS PRODUCTION AND USE TEIJIN LTD 1997-12-02 JP disclosed