SCHEMBL8110652

SCHEMBL8110652

CCN(CC1CCN(C(=O)SNC)CC1)C(C)Cc1ccc(OC)cc1.O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.36
CHRM3 P20309 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL4682768 0.89 ALDH1A1 (0.39) YAP1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4683136 0.88 MMP1 (0.42) YAP1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4683292 0.88 LMNA (0.40) YAP1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4682764 0.88 CHRM3 (0.38) YAP1SMN1; SMN2MEN1KMT2ALMNA
Water SCHEMBL7877668 0.88 LMNA (0.41) YAP1SMN1; SMN2MEN1KMT2ALMNA
Water SCHEMBL7873458 0.87 LMNA (0.39) YAP1SMN1; SMN2MEN1KMT2ALMNA
Water SCHEMBL4680443 0.85 LMNA (0.38) YAP1SMN1; SMN2MEN1KMT2ALMNA
Water SCHEMBL4679971 0.85 LMNA (0.40) YAP1SMN1; SMN2KMT2ALMNACYP3A4
SCHEMBL4683059 0.84 CYP2D6 (0.49) SMN1; SMN2MEN1KMT2ALMNACYP3A4
Water SCHEMBL7874908 0.84 LMNA (0.37) YAP1SMN1; SMN2MEN1KMT2ALMNA

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-1058680-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP disclosed
WO-1999043657-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1999-09-02 WO disclosed