SCHEMBL8613757

SCHEMBL8613757

CC(=O)OC1CCC(N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.61
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
DPP4 P27487 1/20 0.42
TRPV6 Q9H1D0 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7401896 0.86 HRH3 (0.62) HRH3CYP2C9TSHRITGB3ITGA2B
Hydrochloric Acid SCHEMBL6207497 0.85 HRH3 (0.61) HRH3CYP2C9TSHRITGB3ITGA2B
Hydrochloric Acid SCHEMBL8632011 0.83 HRH3 (0.60) HRH3CYP2C9TSHRITGB3ITGA2B
SCHEMBL7400262 0.83 HRH3 (0.55) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL8618958 0.82 HRH3 (0.51) HRH3MEN1KMT2AITGB3ITGA2B
SCHEMBL7400260 0.79 MEN1 (0.49) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL8612116 0.77 HRH3 (0.47) HRH3MEN1KMT2ACYP2C9TSHR
SCHEMBL28784972 0.76 HRH3 (0.57) HRH3MEN1KMT2ACYP2C9ITGB3
SCHEMBL14844181 0.76 HRH3 (1.00) HRH3
SCHEMBL7400261 0.76 HRH3 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed