SCHEMBL6283138

SCHEMBL6283138

CCOc1cccc(Cn2cc(N3CCNCC3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ ADRB1 P08588 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ USP2 O75604 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ LMNA P02545 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
SCHEMBL6672052 0.82 ADRB1 (0.54) MEN1KMT2AALDH1A1ADRB1HTR1A
SCHEMBL27677268 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CHRM3HTR1A
SCHEMBL27677363 0.80 PRMT5 (0.47) MEN1KMT2AALDH1A1CHRM3HTR1A
SCHEMBL6668632 0.80 HDAC4 (0.40) MEN1KMT2AALDH1A1ADRB1TSHR
SCHEMBL22957172 0.79 SIGMAR1 (0.50) ADRB1USP2HTR1AHTR6LMNA
SCHEMBL6922833 0.78 ADRB1 (0.69) MEN1KMT2AALDH1A1ADRB1CYP1A2
SCHEMBL27445974 0.76 LMNA (0.51) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL6254518 0.76 LMNA (0.51) MEN1KMT2AALDH1A1USP2CYP1A2
SCHEMBL27462030 0.76 LMNA (0.51) MEN1KMT2AALDH1A1USP2CYP1A2
SCHEMBL6269923 0.75 LMNA (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2D6

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
CN-101023083-A Nitrogenous fused bicyclic compound TANABE SEIYAKU CO (JP) 2007-08-22 — — CN disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 — — EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 — — WO disclosed
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