SCHEMBL6792953

SCHEMBL6792953

Fc1ccc(CN2CCCC2)c(F)c1

nearest known ligand 0.96

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.96
SMN1; SMN2 Q16637 2/20 0.96
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 1/20 0.52
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
HTT P42858 1/20 0.49
CXCR3 P49682 3/20 0.46
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
GPR6 P46095 2/20 0.44
CFTR P13569 1/20 0.43
CYP2A13 Q16696 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL30341003 0.98 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL16731628 0.96 KDM4E (0.89) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL8803482 0.85 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL6796135 0.85 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1TDP1ACHE
SCHEMBL10819382 0.84 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL2924537 0.84 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL3962616 0.84 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL30596583 0.83 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL21794075 0.83 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL14774793 0.82 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed
EP-1368354-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2003-12-10 EP disclosed
WO-2002070523-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2002-09-12 WO disclosed