SCHEMBL7012849

SCHEMBL7012849

CCC(=O)NCc1cccn1-c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7005681 0.93 BDKRB2 (0.40) BDKRB2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8722561 0.92 BDKRB2 (0.36) BDKRB2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7005740 0.91 BDKRB2 (0.41) BDKRB2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7006530 0.82 BDKRB2 (0.32) BDKRB2
SCHEMBL7012296 0.81 POLB (0.38) BDKRB2POLB
SCHEMBL7009650 0.81 BDKRB2 (0.55) BDKRB2
SCHEMBL7009647 0.81 BDKRB2 (0.55) BDKRB2
SCHEMBL7010302 0.81 BDKRB2 (0.65) BDKRB2
SCHEMBL7010297 0.81 BDKRB2 (0.65) BDKRB2
SCHEMBL7012120 0.80 BDKRB2 (0.58) BDKRB2

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