SCHEMBL6428203

SCHEMBL6428203

CCC(O)C(CC)NCc1ccnc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ANO1 Q5XXA6 1/20 0.30

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
SCHEMBL6433393 0.88 HPGD (0.35) HPGDUSP2ALDH1A1LMNAPOLB
SCHEMBL8344776 0.80 CRHR1 (0.40) ALDH1A1MAPT
SCHEMBL6428374 0.78 CRHR1 (0.38) ALDH1A1
SCHEMBL6428206 0.78 SCN9A (0.35) SCN5ASCN9A
SCHEMBL6429485 0.76 TAS1R3 (0.35) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5843098 0.74 CRHR1 (0.43)
SCHEMBL6428205 0.73 CRHR1 (0.41) MAPT
SCHEMBL5844636 0.68 CRHR1 (0.43)
Hydrochloric Acid SCHEMBL6430345 0.68 KMT2A (0.32) MAPT
Hydrochloric Acid SCHEMBL6430340 0.68 KMT2A (0.32) MAPT

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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed