SCHEMBL6985506

SCHEMBL6985506

c1cc(CC2CNCC[N]2)cs1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
CCKBR P32239 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL12098835 0.77 GBA1 (0.46) TAAR1
SCHEMBL72389 0.77 GBA1 (0.46) TAAR1
SCHEMBL7805384 0.74 HTR3A (0.39)
SCHEMBL4161319 0.71 MLNR (0.36)
SCHEMBL11821505 0.71 SLC6A4 (0.49) TAAR1
SCHEMBL2201795 0.70 SLC6A2 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL4590823 0.69 HCAR2 (0.31)
SCHEMBL4506674 0.68 GBA1 (0.56) MEN1KDM4AALDH1A1MAPTKMT2A
SCHEMBL1580640 0.68 CYP3A4 (0.44) ALDH1A1MAPTHSD17B10TAAR1
SCHEMBL3556706 0.67 HRH4 (0.30)

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
EP-1071680-A4 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP claimed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP claimed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO claimed