SCHEMBL4249144

SCHEMBL4249144

CC1(C)C(O)NCCN1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL3712349 0.73 SIGMAR1 (0.54) MAPK1SIGMAR1ACHEMEN1KMT2A
SCHEMBL28312066 0.72 ACHE (0.44) MAPK1SIGMAR1ACHEMEN1KMT2A
SCHEMBL4107014 0.70 MAPK1 (0.57) MAPK1SIGMAR1ACHEMEN1KMT2A
SCHEMBL28285871 0.69 MAPK1 (0.56) MAPK1SIGMAR1ACHEMEN1KMT2A
SCHEMBL1090206 0.68 SIGMAR1 (0.65) SIGMAR1ACHEKMT2AHPGDSMN1; SMN2
SCHEMBL10293578 0.68 SIGMAR1 (0.65) SIGMAR1ACHEKMT2AHPGDSMN1; SMN2
SCHEMBL1090204 0.68 SIGMAR1 (0.65) SIGMAR1ACHEKMT2AHPGDSMN1; SMN2
SCHEMBL14695121 0.68 GAA (0.49) MAPK1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL31171617 0.68 TSHR (0.43) MAPK1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL31171531 0.68 TSHR (0.43) MAPK1MEN1KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363705-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-08-12 EP disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed