SCHEMBL3353889

SCHEMBL3353889

CN1CCN(C(=O)Cn2ccc3ccc(N)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.49
▸ KMT2A Q03164 2/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ HTR7 P34969 7/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NTSR1 P30989 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL13537353 0.82 PTGS2 (0.40) KMT2APTGS2HTR7MEN1USP2
SCHEMBL12605568 0.81 KMT2A (0.56) KMT2APTGS2CXCR3ALDH1A1HSD17B10
SCHEMBL3356853 0.81 HTR7 (0.62) HRH4KMT2AHTR7MEN1ALDH1A1
SCHEMBL13139567 0.78 NTSR1 (0.45) KMT2AUSP2ALDH1A1HPGDTSHR
SCHEMBL2869168 0.76 KMT2A (0.60) KMT2AALDH1A1HPGDTSHRHSD17B10
SCHEMBL3353214 0.76 LMNA (0.44) KMT2AUSP2ALDH1A1HPGDTSHR
SCHEMBL3351880 0.75 HTR7 (0.55) HTR7
SCHEMBL3354522 0.74 GRIN2B (0.45) NTSR1
SCHEMBL3354646 0.74 NTSR1 (0.51) KMT2AUSP2ALDH1A1HPGDTSHR
SCHEMBL3355234 0.74 KDM4E (0.48) KMT2AMEN1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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