SCHEMBL8633134

SCHEMBL8633134

COc1ccccc1C(C)(C(=O)O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.44
F2 P00734 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LSS P48449 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SLC2A1 P11166 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 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
SCHEMBL22611902 0.77 F10 (0.43) F10F2HRH3CHRM1LSS
SCHEMBL8632778 0.73 CYP2C9 (0.44) F10F2HRH3TSHRLSS
SCHEMBL8632780 0.72 F10 (0.45) F10F2HRH3TSHRKDM4E
Hydrochloric Acid SCHEMBL8631952 0.70 CYP2C9 (0.43) F10F2HRH3TSHRKDM4E
SCHEMBL8633125 0.70 F10 (0.52) F10F2HRH3TSHRKDM4E
SCHEMBL8632213 0.69 SLC2A1 (0.43) F10CHRM1TSHRKDM4ESLC2A1
SCHEMBL13003064 0.69 CHKA (0.53) HRH3TSHRMEN1KMT2A
SCHEMBL8631479 0.68 F10 (0.43) F10F2HRH3TSHRLSS
SCHEMBL8634619 0.68 F10 (0.43) F10F2HRH3TSHRLSS
Hydrochloric Acid SCHEMBL8633753 0.67 CYP2C9 (0.43) F10F2HRH3TSHRLSS

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 2 patents. 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
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed