SCHEMBL4748989

SCHEMBL4748989

COC(=O)[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
BTK Q06187 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL4748992 1.00 PPM1D (0.38) PPM1DSMN1; SMN2CHRNB2CHRNA4BTK
SCHEMBL4748991 1.00 PPM1D (0.38) PPM1DSMN1; SMN2CHRNB2CHRNA4BTK
SCHEMBL19148890 0.91 SMN1; SMN2 (0.36) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL22357286 0.91 SMN1; SMN2 (0.36) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL16167661 0.91 SMN1; SMN2 (0.36) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1498724 0.85 CHRNB2 (0.42) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL19149236 0.85 CHRNB2 (0.42) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1498725 0.85 CHRNB2 (0.42) PPM1DSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL4922240 0.84 BTK (0.44) PPM1DBTK
SCHEMBL4922245 0.84 BTK (0.44) PPM1DBTK

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
WO-2008119715-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed