SCHEMBL29433262

SCHEMBL29433262

CCN(c1ccccn1)[C@@H](C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
POLB P06746 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTPRA P18433 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6312418 0.84 HDAC6 (0.41) OPRM1POLBGAAALDH1A1CYP1A2
SCHEMBL28728896 0.82 MAPT (0.48) ALDH1A1SMN1; SMN2
SCHEMBL7357436 0.81 POLB (0.41) OPRM1POLBALDH1A1CYP1A2TSHR
SCHEMBL1925942 0.81 POLB (0.41) OPRM1POLBALDH1A1CYP1A2TSHR
SCHEMBL1762208 0.81 POLB (0.41) OPRM1POLBALDH1A1CYP1A2TSHR
SCHEMBL28679009 0.80 POLB (0.44) OPRM1POLBGAAALDH1A1CYP1A2
SCHEMBL4953723 0.80 POLB (0.44) OPRM1POLBGAAALDH1A1CYP1A2
SCHEMBL4953717 0.80 POLB (0.44) OPRM1POLBGAAALDH1A1CYP1A2
SCHEMBL13180333 0.80 TAAR1 (0.55) POLBALDH1A1TSHRTAAR1ADRA2A
SCHEMBL4302479 0.79 POLB (0.43) OPRM1POLBGAAALDH1A1CYP1A2

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
CN-108026162-B Cystine knot scaffold platform 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed