SCHEMBL6848367

SCHEMBL6848367

CN[C@@H](C=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.53
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
CTSK P43235 2/20 0.46
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CAPN1 P07384 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6852898 1.00 ACE (0.53) ACEALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL17167147 0.82 SIGMAR1 (0.47) ACECYP1A2KMT2AMEN1HTT
SCHEMBL1970032 0.81 TAAR1 (0.53) ACEKMT2AMEN1TAAR1CAPN1
SCHEMBL2920753 0.81 TAAR1 (0.53) ACEKMT2AMEN1TAAR1CAPN1
SCHEMBL6852338 0.81 TAAR1 (0.53) ACEKMT2AMEN1TAAR1CAPN1
SCHEMBL28913527 0.80 KCNH2 (0.44) ACEALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28042951 0.80 KCNH2 (0.44) ACEALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23201280 0.79 ACE (0.57) ACEALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6463762 0.79 ACE (0.57) ACEALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL23201281 0.79 ACE (0.57) ACEALDH1A1SMN1; SMN2CYP1A2CYP2C9

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
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US claimed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP claimed
WO-2001038397-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US disclosed