SCHEMBL6604100

SCHEMBL6604100

Cc1c(C#N)c(C)c2ccccc2c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
TSHR P16473 2/20 0.44
DHODH Q02127 4/20 0.42
KDM4E B2RXH2 6/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39

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
SCHEMBL6605190 0.87 KDM4E (0.47) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL6603196 0.83 ALDH1A1 (0.46) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL6602795 0.83 ALDH1A1 (0.40) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL6603210 0.83 PDE10A (0.42) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL6603724 0.82 ALDH1A1 (0.39) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL6607597 0.81 ALDH1A1 (0.38) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL6608036 0.79 ALDH1A1 (0.43) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL113091 0.79 PDE10A (0.62) PDE10AALDH1A1TSHRDHODHKDM4E
SCHEMBL6604603 0.78 ALDH1A1 (0.42) PDE10AALDH1A1MAPK1STAT3TSHR
SCHEMBL1905106 0.77 PDE10A (0.56) PDE10AALDH1A1TSHRDHODHKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed