SCHEMBL22015257

SCHEMBL22015257

Cc1cccn2c(C(C)C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.35
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 5/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
CA2 P00918 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
HTR2A P28223 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
SCHEMBL19570333 0.85 HTR2A (0.36) SSTR4KDM4EALDH1A1GAAHPGD
SCHEMBL18407310 0.76 DAO (0.34) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL8404416 0.74 SSTR4 (0.38) SSTR4KDM4EALDH1A1GAAHPGD
SCHEMBL1289913 0.69 ALDH1A1 (0.45) SSTR4KDM4EALDH1A1GAAHPGD
SCHEMBL15077047 0.68 GPR139 (0.35) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL23108716 0.68 HDAC8 (0.52) SSTR4KDM4EALDH1A1GAAHPGD
SCHEMBL12190492 0.67 KDM4E (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24410771 0.67 SSTR4 (0.35) SSTR4KDM4EALDH1A1GAAHPGD
SCHEMBL16256090 0.67 KDM4E (0.39) SSTR4KDM4EALDH1A1GAAHPGD
SCHEMBL8404406 0.66 PTPN1 (0.39) SSTR4KDM4EALDH1A1GAAHPGD

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-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed