SCHEMBL7815568

SCHEMBL7815568

CCCCOC(=O)[C@]1(C(=O)O)CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
TSHR P16473 4/20 0.34
HPGD P15428 1/20 0.33
CYP3A4 P08684 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL7811721 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL8764177 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL6498523 0.81 MEN1 (0.36) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL8249142 0.80 OPRM1 (0.41) MEN1KMT2ALMNAKCNH2POLB
SCHEMBL16086202 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL1025910 0.74 ALDH1A1 (0.40) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL1025912 0.74 ALDH1A1 (0.40) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL13738791 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1ATMHCAR2
SCHEMBL3934353 0.73 ARG1 (0.34)
SCHEMBL16086201 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1ATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed