SCHEMBL8631482

SCHEMBL8631482

CNC(=O)c1ccccc1OC(C(=O)O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
JAK1 P23458 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GFER P55789 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.40
F10 P00742 2/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LSS P48449 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8632780 0.84 F10 (0.45) HRH3F10TSHRLSSALDH1A1
SCHEMBL8695326 0.74 F10 (0.41) HRH3SMN1; SMN2F10TSHRMAPK1
SCHEMBL8683270 0.71 F10 (0.44) HRH3SMN1; SMN2F10TSHRMAPK1
SCHEMBL8790550 0.70 HRH3 (0.46) HRH3MAPTSMN1; SMN2TSHRMAPK1
Hydrochloric Acid SCHEMBL8631954 0.69 CYP2C9 (0.42) HRH3SMN1; SMN2F10TSHRMAPK1
Hydrochloric Acid SCHEMBL8683467 0.69 F10 (0.43) HRH3SMN1; SMN2F10TSHRMAPK1
SCHEMBL8633125 0.69 F10 (0.52) HRH3MAPTSMN1; SMN2F10LMNA
Hydrochloric Acid SCHEMBL8636989 0.68 ABCB1 (0.48) HRH3RAB9ANPY2RPOLBALDH1A1
SCHEMBL8686293 0.68 HRH3 (0.51) HRH3MAPTSMN1; SMN2F10POLB
SCHEMBL4435638 0.68 ITGB3 (0.46) HRH3TSHRLSS

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