SCHEMBL6970723

SCHEMBL6970723

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.59
CHRNB2 P17787 2/20 0.55
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
CHRNA4 P43681 2/20 0.55
KDM4E B2RXH2 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MTTP P55157 7/20 0.50
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
DEGS1 O15121 2/20 0.48

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
SCHEMBL31585975 0.91 HCAR3 (0.67) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5234790 0.91 HCAR3 (0.67) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31585850 0.88 HCAR3 (0.59) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20602221 0.88 HCAR3 (0.59) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6805714 0.85 MTTP (0.66) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5235844 0.82 HCAR3 (0.68) HCAR3KDM4ETP53RAB9ASMN1; SMN2
SCHEMBL7376852 0.82 F10 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL5235522 0.81 CHRNB2 (0.60) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5739480 0.81 CHRNB2 (0.67) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7372972 0.81 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed