SCHEMBL28128282

SCHEMBL28128282

CCc1cc(CBr)ccc1C1CCN(OC(=O)C(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 11/20 0.33
GUCY1B1 Q02153 11/20 0.33
ACHE P22303 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
ELANE P08246 1/20 0.31
SLC9A1 P19634 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28839896 0.83 NR1H2 (0.34) ACHECYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL19107669 0.83 THRB (0.47) GUCY1A1GUCY1B1CYP3A4CYP2C9CYP2C19
SCHEMBL28128251 0.81 RBP4 (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL17397709 0.79 NPC1 (0.39) GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL17397533 0.77 GUCY1A1 (0.45) GUCY1A1GUCY1B1CYP3A4CYP2C9CYP2C19
SCHEMBL27842061 0.74 F2 (0.40) SMN1; SMN2
SCHEMBL28256778 0.73 NUDT1 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL19092639 0.72 GPR119 (0.51) GUCY1A1GUCY1B1CYP3A4CYP2C9CYP2C19
SCHEMBL28127509 0.72 ABL1 (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL28256715 0.72 GPR119 (0.37) ALDH1A1LMNAGPR119SMN1; SMN2

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
CN-106470985-A Indane and indoline derivatives as soluble guanylate cyclase activators and uses thereof 诺华股份有限公司 2017-03-01 CN disclosed