SCHEMBL764163

SCHEMBL764163

CPOCC(O)COc1ccccc1CCCN

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.51
ADRB1 P08588 11/20 0.51
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL765334 0.82 ADRB2 (0.51) ADRB2ADRB1KDM4ELMNACYP1A2
SCHEMBL764884 0.80 ADRB2 (0.55) ADRB2ADRB1LMNA
SCHEMBL2361312 0.78 ADRB2 (0.56) ADRB2ADRB1KDM4ELMNACYP1A2
SCHEMBL764150 0.78 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL2331246 0.78 ADRB2 (0.56) ADRB2ADRB1KDM4ELMNACYP1A2
SCHEMBL2328945 0.78 ADRB2 (0.56) ADRB2ADRB1KDM4ELMNACYP1A2
SCHEMBL6843990 0.75 ADRB2 (0.66) ADRB2ADRB1
SCHEMBL29818847 0.75 ADRB2 (0.45) ADRB2ADRB1
SCHEMBL11879638 0.74 ADRB2 (0.58) ADRB2ADRB1ALOX15
SCHEMBL9038190 0.72 L3MBTL1 (0.53) SMN1; 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
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed