SCHEMBL7786994

SCHEMBL7786994

CCC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.39
RXRA P19793 2/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL7606450 0.87 REN (0.44) RENRXRAALDH1A1POLBGAA
SCHEMBL7601625 0.80 REN (0.49) RENRXRAALDH1A1POLBGAA
SCHEMBL12354381 0.80 ALDH1A1 (0.41) RENALDH1A1POLBGAAMTNR1A
SCHEMBL27822436 0.79 REN (0.39) RENRXRAALDH1A1POLBGAA
SCHEMBL12353125 0.79 ALDH1A1 (0.39) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL12353624 0.79 ALDH1A1 (0.51) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL12353623 0.79 ALDH1A1 (0.40) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL14747529 0.78 ALDH1A1 (0.38) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL7601626 0.78 REN (0.36) RENRXRAALDH1A1MTNR1AMTNR1B
SCHEMBL12354383 0.77 ALDH1A1 (0.39) RENALDH1A1POLBGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed