SCHEMBL6797003

SCHEMBL6797003

O=CN1CC2CN(Cc3cc(F)cc(F)c3)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GPR183 P32249 1/20 0.35
DRD4 P21917 1/20 0.35
NPY5R Q15761 1/20 0.34
PDE1B Q01064 1/20 0.33

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
SCHEMBL6796586 0.76 HDAC1 (0.46) GRIN2BDRD2SIGMAR1GPR183DRD4
SCHEMBL21257972 0.74 KDM4E (0.50) DRD2SIGMAR1
SCHEMBL6796583 0.73 SIGMAR1 (0.39) GRIN2BDRD2SIGMAR1GPR183DRD4
SCHEMBL21257992 0.73 KDM4E (0.55) SIGMAR1
SCHEMBL21257963 0.71 HRH3 (0.54)
SCHEMBL6796714 0.70 GAA (0.41) GRIN2B
SCHEMBL6797008 0.68 SIGMAR1 (0.30) SIGMAR1
SCHEMBL6804350 0.67 GRIN2B (0.43) GRIN2B
SCHEMBL21257991 0.67 KMT2A (0.52)
SCHEMBL1012603 0.67 HDAC3 (0.56) GRIN2B

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
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