SCHEMBL6003138

SCHEMBL6003138

Cc1cc(C(=S)N2CCN(CCN3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C(O[SiH](C)C)c2ccc(Cl)c(C(C)(C)C)c2)cc(C(F)(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5425464 0.85 TACR2 (0.31)
SCHEMBL6003128 0.76 TACR1 (0.34)
SCHEMBL6003132 0.71 TACR1 (0.32) SMN1; SMN2
SCHEMBL6003130 0.71 TACR1 (0.32) SMN1; SMN2
Hydrochloric Acid SCHEMBL7863825 0.64 RHOC (0.42)
Hydrochloric Acid SCHEMBL5363711 0.64 RHOC (0.42)
Hydrochloric Acid SCHEMBL5363706 0.64 RHOC (0.42)
Hydrochloric Acid SCHEMBL5369560 0.63 TACR1 (0.42) SMN1; SMN2
SCHEMBL5425448 0.62 TACR1 (0.33)
Hydrochloric Acid SCHEMBL5366380 0.60 TACR1 (0.41)

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-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed