SCHEMBL19942091

SCHEMBL19942091

O=C(O)C[C@@H]1C2=CN(C(=O)OCc3ccccc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
P2RX4 Q99571 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
ALDH1A1 P00352 4/20 0.39

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
SCHEMBL14778992 0.74 HTR2C (0.51) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6819973 0.73 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16601495 0.72 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16608113 0.72 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL895729 0.72 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8562576 0.72 KMT2A (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL523693 0.70 SMN1; SMN2 (0.55) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16040873 0.70 SMN1; SMN2 (0.55) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL524109 0.70 SMN1; SMN2 (0.55) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL523692 0.70 SMN1; SMN2 (0.55) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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-2018043461-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2018-03-08 WO disclosed