SCHEMBL7745693

SCHEMBL7745693

Oc1cccc(C2C3CC4CC(C3)CC2C4)c1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 2/20 0.34
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ADAMTS4 O75173 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
FYN P06241 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL27520667 0.88 CHRNB2 (0.39) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL345589 0.82 HTR2A (0.42) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL2710155 0.81 G6PD (0.36) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL4614491 0.81 SCN9A (0.34) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL27199179 0.81 SCN9A (0.34) MEN1GAAKMT2ASCN9AADAMTS4
SCHEMBL15531515 0.80 TRPA1 (0.41) CHRNB2CHRNA4MEN1KMT2ASCN9A
SCHEMBL27797604 0.80 CHRNB2 (0.34) CHRNB2CHRNA4SCN9AHTR2AHTR2C
SCHEMBL5365399 0.76 SMN1; SMN2 (0.38) MEN1GAAKMT2AHTR2AHTR2C
SCHEMBL15531513 0.73 ALDH1A1 (0.45) MEN1GAAKMT2ASCN9AHTR2A
SCHEMBL6860646 0.72 INPPL1 (0.44) SCN9AHTR2AALDH1A1HPGDHSD17B10

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
US-6326397-B1 OSTEOPOROSIS HOFFMAN-LA ROCHE INC. 2001-12-04 US disclosed