SCHEMBL7876180

SCHEMBL7876180

COc1ccc(C(N)CC(=O)NC(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AHR P35869 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL6761354 0.81 HSD17B10 (0.49) MEN1KMT2AALDH1A1ADRA1A
SCHEMBL6761350 0.81 HSD17B10 (0.49) MEN1KMT2AALDH1A1ADRA1A
SCHEMBL825343 0.78 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8759049 0.78 L3MBTL1 (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL27827515 0.73 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8863111 0.73 NPSR1 (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4392054 0.73 ADRA1A (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL7040353 0.72 CYP1A2 (0.49) ALDH1A1MAPTCYP1A2TSHRCYP2C19
SCHEMBL537188 0.72 FFAR1 (0.44) LMNAMAPTTSHR
Hydrochloric Acid SCHEMBL6704501 0.72 MEN1 (0.41) MEN1KMT2AALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800505-B1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORP (US) 2001-09-26 EP claimed
EP-0548217-B1 PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES BUCHARDT OLE (DK) 1997-04-09 EP disclosed
US-5580751-A REACTING A PEPTIDE WITH A NUCLEOPHILIC AMINE IN THE PRESENCE OF TRYPSIN OR A CARBOXYPEPIDASE; NONENZYMATICALLY CLEAVING TO FORM THE PRODUCT CARLSBERG A/S (DK) 1996-12-03 US disclosed
EP-0548217-A1 PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES. BUCHARDT OLE (DK) 1993-06-30 EP disclosed
WO-1992005271-A1 PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES BUCHARDT OLE (DK) 1992-04-02 WO disclosed