SCHEMBL7400261

SCHEMBL7400261

CC(=O)O[C@]1(C(C)(C)C)CC[C@H](N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 3/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL7399593 1.00 HRH3 (0.47) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL7399591 1.00 HRH3 (0.47) HRH3MEN1KMT2ACYP2C9TSHR
Acetic Acid SCHEMBL8631159 0.81 HRH3 (0.50) HRH3MEN1KMT2ACYP2C9TSHR
Acetic Acid SCHEMBL7399594 0.81 HRH3 (0.50) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL7400260 0.76 MEN1 (0.49) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL8613757 0.76 HRH3 (0.61) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL7399382 0.71 ITGB3 (0.49) HRH3MEN1KMT2AITGB3ITGA2B
SCHEMBL7399380 0.71 ITGB3 (0.49) HRH3MEN1KMT2AITGB3ITGA2B
SCHEMBL28784972 0.71 HRH3 (0.57) HRH3MEN1KMT2ACYP2C9HIF1A
SCHEMBL7400262 0.70 HRH3 (0.55) HRH3MEN1KMT2ACYP2C9TSHR

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
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