SCHEMBL9844702

SCHEMBL9844702

Cc1ccc2c(c1)cc1n2C(=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SRD5A1 P18405 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34
DAO P14920 1/20 0.33
POLB P06746 1/20 0.33
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL9259282 0.86 NOTUM (0.62) NOTUMKDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL9261564 0.79 NOTUM (0.57) NOTUMKDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL17907932 0.77 SIGMAR1 (0.41) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL30615209 0.77 NOTUM (1.00) NOTUMKDM4EALDH1A1SIGMAR1TSHR
SCHEMBL9259627 0.77 NOTUM (1.00) NOTUMKDM4EALDH1A1SIGMAR1TSHR
SCHEMBL9279199 0.71 NOTUM (0.56) NOTUMALDH1A1L3MBTL1HSD17B10CYP1A2
SCHEMBL9287309 0.71 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9735956 0.69 NOTUM (0.62) NOTUMKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9844700 0.69 NOTUM (0.62) NOTUMHSD17B10CYP1A2CYP2A6SRD5A1
SCHEMBL9736291 0.69 NOTUM (0.57) NOTUMKDM4EALDH1A1NPC1RAB9A

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-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed