SCHEMBL22040887

SCHEMBL22040887

CC1CCC(c2ccncc2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAPT P10636 3/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA7 P36544 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RECQL P46063 1/20 0.32
PRCP P42785 1/20 0.31
CYP19A1 P11511 3/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL22039771 1.00 DDB1 (0.36) DDB1CRBNMAPTCHRNB2CHRNA4
SCHEMBL4322307 0.79 CHRNB2 (0.58) MAPTCHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL19776738 0.79 SMN1; SMN2 (0.44) CHRNA7LMNAPRCP
SCHEMBL15730213 0.79 SMN1; SMN2 (0.44) CHRNA7LMNAPRCP
SCHEMBL20983529 0.79 SMN1; SMN2 (0.44) CHRNA7LMNAPRCP
SCHEMBL1105469 0.79 SMN1; SMN2 (0.44) CHRNA7LMNAPRCP
SCHEMBL15730210 0.79 SMN1; SMN2 (0.44) CHRNA7LMNAPRCP
SCHEMBL23891619 0.78 MAPT (0.41) MAPTALDH1A1CYP2C19CYP1A2TDP1
SCHEMBL22039539 0.77 MAOA (0.43) DDB1CRBNALDH1A1TDP1GAA
SCHEMBL22039702 0.76 KCNH2 (0.45) TDP1NPSR1RECQLTSHR

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
EP-3692366-B1 SELECTIVE OPTICAL AQUEOUS AND NON-AQUEOUS DETECTION OF FREE SULFITES UNIV NEW YORK STATE RES FOUND (US) 2022-12-14 EP disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 WO disclosed