SCHEMBL8632669

SCHEMBL8632669

CC(=O)N1CCC(OC(=O)CCN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 1/20 0.48
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
DRD4 P21917 1/20 0.43
SLC6A4 P31645 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL8605444 0.78 HRH3 (0.56) HRH3CYP2C9TSHRITGB3ITGA2B
Hydrochloric Acid SCHEMBL8838061 0.77 HRH3 (0.53) HRH3CYP2C9MEN1KMT2A
Hydrochloric Acid SCHEMBL9024564 0.76 SMN1; SMN2 (0.50) HRH3ITGB3ITGA2B
SCHEMBL8699538 0.76 ITGB3 (0.53) HRH3CYP2C9TSHRITGB3ITGA2B
SCHEMBL6603738 0.75 CYP2C9 (0.73) CYP2C9TSHRMEN1KMT2A
SCHEMBL7401896 0.74 HRH3 (0.62) HRH3CYP2C9TSHRITGB3ITGA2B
Hydrochloric Acid SCHEMBL6207497 0.73 HRH3 (0.61) HRH3CYP2C9TSHRITGB3ITGA2B
Hydrochloric Acid SCHEMBL9058256 0.72 ITGB3 (0.60) HRH3ITGB3ITGA2BKMT2A
Hydrochloric Acid SCHEMBL9023569 0.72 HTR7 (0.48) HRH3CYP2C9TSHRITGB3ITGA2B
SCHEMBL8837987 0.72 ITGB3 (0.63) HRH3ITGB3ITGA2BDRD4SLC6A4

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed