SCHEMBL8690176

SCHEMBL8690176

CCCCn1nc(C)c(C=O)c1Cc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8691422 0.80 CNR2 (0.37) L3MBTL1
SCHEMBL8691288 0.80 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19DRD3CA1
SCHEMBL8695687 0.80 FPR1 (0.34) GAAMAPT
SCHEMBL8694551 0.77 FPR1 (0.40)
SCHEMBL8879237 0.73 AGTR1 (0.39) CYP1A2CYP2D6CYP2C19DRD3CA1
SCHEMBL27798516 0.73 MAPT (0.42) CYP1A2CYP2C19LMNAGAAMAPT
SCHEMBL29956676 0.70 SMN1; SMN2 (0.36) CYP1A2CYP2C19GAAMAPTL3MBTL1
SCHEMBL8692878 0.70 HTT (0.43) LMNAL3MBTL1
SCHEMBL8693592 0.69 HTT (0.42)
SCHEMBL8690276 0.69 TP53 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed