SCHEMBL29623620

SCHEMBL29623620

CCC1CCN([C@@H](C)c2ccc(OC)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
CHRM2 P08172 6/20 0.42
POLB P06746 1/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL29865698 0.88 HSD11B1 (0.49) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL19741714 0.88 HSD11B1 (0.46) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL19741750 0.88 HSD11B1 (0.46) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL19741749 0.88 HSD11B1 (0.46) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL19741713 0.88 HSD11B1 (0.46) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL29963502 0.88 HSD11B1 (0.46) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL29963699 0.83 HSD11B1 (0.43) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL29865914 0.83 HSD11B1 (0.43) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL29866110 0.83 HSD11B1 (0.43) HSD11B1CHRM2POLBCHRM1CHRM4
SCHEMBL14177590 0.81 MEN1 (0.48) TACR1

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
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed