SCHEMBL6848537

SCHEMBL6848537

COCC12CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC(=O)N1CCCCCCC1(CCN(Cc3ccccc3)CC1)CO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
CYP2D6 P10635 7/20 0.40
TSHR P16473 6/20 0.40
CYP3A4 P08684 6/20 0.40
USP2 O75604 5/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.36
SLC2A1 P11166 1/20 0.36
CYP2C9 P11712 2/20 0.35
TP53 P04637 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6079645 0.92 ALDH1A1 (0.41) F10CYP2D6TSHRCYP3A4USP2
SCHEMBL6079034 0.84 F10 (0.41) F10CYP2D6TSHRCYP3A4USP2
SCHEMBL6078359 0.83 ALDH1A1 (0.42) F10CYP2D6TSHRCYP3A4USP2
SCHEMBL6079173 0.82 F10 (0.46) F10CYP2D6TSHRCYP3A4USP2
SCHEMBL6079085 0.79 F10 (0.59) F10CYP2D6TSHRCYP3A4CYP1A2
Hydrochloric Acid SCHEMBL6079680 0.78 F10 (0.42) F10TSHRALDH1A1KDM4E
SCHEMBL6079366 0.78 F10 (0.49) F10CYP2D6TSHRCYP3A4USP2
SCHEMBL4522849 0.78 F10 (0.58) F10CYP2D6TSHRCYP3A4USP2
SCHEMBL6078825 0.77 F10 (0.52) F10TSHRALDH1A1LMNAMAPK1
SCHEMBL6078643 0.77 F10 (0.41) F10TSHRALDH1A1LMNAMAPK1

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
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP disclosed