SCHEMBL28520780

SCHEMBL28520780

CCOC(=O)C1CN(C(=O)c2ccc([C@@H](C)O)cc2)CC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
ALDH1A1 P00352 6/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADRB2 P07550 2/20 0.41
PDE2A O00408 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB3 P13945 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4092578 0.88 HPGD (0.49) HPGDALDH1A1POLBSMN1; SMN2ADRB2
SCHEMBL15913974 0.76 MAPT (0.42) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL14637849 0.72 SMN1; SMN2 (0.47) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL28516729 0.69 HCRTR1 (0.33) ALDH1A1TSHRKMT2A
SCHEMBL28516727 0.69 HCRTR1 (0.33) ALDH1A1TSHRKMT2A
SCHEMBL4089859 0.69 PDE2A (0.47) ALDH1A1POLBPDE2ANPC1RAB9A
SCHEMBL2436680 0.69 HPGD (0.65) HPGDALDH1A1POLBSMN1; SMN2ADRB2
SCHEMBL4085982 0.67 HPGD (0.51) HPGDALDH1A1POLBSMN1; SMN2ADRB2
SCHEMBL192942 0.67 HPGD (0.77) HPGDALDH1A1POLBSMN1; SMN2ADRB2
SCHEMBL28851927 0.67 ALDH1A1 (0.58) HPGDALDH1A1POLBSMN1; SMN2ADRB2

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-107235960-B Amide derivatives, preparation method and medical application thereof 浙江海正药业股份有限公司 2021-01-29 CN disclosed