SCHEMBL6796714

SCHEMBL6796714

O=CN1CC2CN(Cc3cccc(F)c3F)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GRIN2B Q13224 3/20 0.39
TACR1 P25103 2/20 0.38
CYP2A13 Q16696 1/20 0.38
RORC P51449 1/20 0.36
ATM Q13315 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL21257991 0.77 KMT2A (0.52) GAAALDH1A1TACR1ATMKDM4E
SCHEMBL6797003 0.70 GRIN2B (0.38) GRIN2B
SCHEMBL6803849 0.70 ALDH1A1 (0.70) GAAALDH1A1CYP2A13ATMKDM4E
SCHEMBL7424735 0.69 ALDH1A1 (0.64) ALDH1A1CYP2A13ATMKDM4ELMNA
SCHEMBL6804350 0.69 GRIN2B (0.43) GAAALDH1A1GRIN2BLMNAHTT
SCHEMBL21257992 0.69 KDM4E (0.55) GAAALDH1A1TACR1KDM4ELMNA
SCHEMBL30341108 0.68 ALDH1A1 (0.73) GAAALDH1A1CYP2A13ATMKDM4E
SCHEMBL20936791 0.67 ALDH1A1 (0.51) ALDH1A1TACR1CYP2A13ATMKDM4E
SCHEMBL20937474 0.67 ALDH1A1 (0.51) ALDH1A1TACR1CYP2A13ATMKDM4E
SCHEMBL6943859 0.67 ATM (0.49) GAAALDH1A1CYP2A13RORCATM

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