SCHEMBL7401601

SCHEMBL7401601

CCOC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.60
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
HRH1 P35367 1/20 0.48
ALDH1A1 P00352 2/20 0.48
METAP1 P53582 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7335436 0.89 HRH3 (0.59) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7400470 0.89 HRH3 (0.54) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7403445 0.87 ALDH1A1 (0.48) HRH3MEN1KMT2AATMHRH1
SCHEMBL7327928 0.85 HRH3 (0.59) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7400454 0.85 HRH3 (0.48) HRH3ATMNPSR1HRH1ALDH1A1
SCHEMBL7404732 0.85 HRH3 (0.51) HRH3MEN1KMT2AALDH1A1KDM4E
SCHEMBL7399638 0.84 HRH3 (0.58) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7402214 0.84 ALDH1A1 (0.57) HRH3MEN1KMT2AALDH1A1METAP1
SCHEMBL7398284 0.84 HRH3 (0.58) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7403746 0.82 HRH3 (0.53) HRH3MEN1KMT2AHRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed