SCHEMBL4748848

SCHEMBL4748848

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
ANPEP P15144 1/20 0.36
TSHR P16473 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 2/20 0.33
S1PR5 Q9H228 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
EPHX2 P34913 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32

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
SCHEMBL4748851 1.00 BTK (0.40) BTKTAAR1ANPEPTSHRPPM1B
SCHEMBL4748850 1.00 BTK (0.40) BTKTAAR1ANPEPTSHRPPM1B
SCHEMBL27810374 0.90 PPP5C (0.41) BTKANPEPNAAAS1PR5SLCO1B1
SCHEMBL27810373 0.90 PPP5C (0.41) BTKANPEPNAAAS1PR5SLCO1B1
SCHEMBL8969589 0.89 PPM1B (0.36) BTKTAAR1PPM1BPTPN1PPP1CC
SCHEMBL1543617 0.84 ANPEP (0.37) BTKANPEPTSHRSMN1; SMN2PDE4A
SCHEMBL8969252 0.84 NAAA (0.46) NAAAS1PR5EPHX2
SCHEMBL4787505 0.83 SMN1; SMN2 (0.37) TAAR1SMN1; SMN2NAAAEPHX2
SCHEMBL4787507 0.83 SMN1; SMN2 (0.37) TAAR1SMN1; SMN2NAAAEPHX2
SCHEMBL4787501 0.83 SMN1; SMN2 (0.37) TAAR1SMN1; SMN2NAAAEPHX2

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 2 patents. 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
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