SCHEMBL7008977

SCHEMBL7008977

CCCC(=O)Nc1c(C)ccn1-c1ccc(Cl)c(COS(C)(=O)=O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
TDP2 O95551 1/20 0.33
PAX8 Q06710 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TLR9 Q9NR96 1/20 0.33
NPC1 O15118 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BDKRB2 P30411 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7012620 0.88 CYP1A2 (0.31) ALDH1A1CYP2D6CYP2C9CYP3A4CYP1A2
SCHEMBL7008368 0.84 NOTUM (0.41) GAAPOLBALDH1A1HTTCYP2D6
SCHEMBL7005678 0.78 HTT (0.34) GAAPOLBALDH1A1HTTCYP2D6
SCHEMBL7008980 0.78 BDKRB2 (0.40) POLBALDH1A1HTTCYP2D6CYP2C9
SCHEMBL7014193 0.72 GABRA2 (0.36) GAAALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL8722572 0.72 ALDH1A1 (0.36) GAAPOLBALDH1A1HTTTDP2
SCHEMBL7015139 0.71 BDKRB2 (0.57) BDKRB2
SCHEMBL7007149 0.71 CYP1A2 (0.43) POLBALDH1A1HTTCYP2D6CYP2C9
SCHEMBL7010424 0.71 NOTUM (0.44) ALDH1A1HTTCYP2C9CYP3A4CYP1A2
SCHEMBL7012618 0.69 BDKRB2 (0.42) POLBALDH1A1CYP2D6CYP2C9NPC1

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-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed