SCHEMBL7478611

SCHEMBL7478611

Cc1cnc(N(CCNC(=N)NCCCc2c[nH]cn2)Cc2ccccc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR3C1 P04150 1/20 0.31
SSTR4 P31391 3/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CRHR1 P34998 1/20 0.31
CASR P41180 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
SSTR2 P30874 2/20 0.30

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
SCHEMBL7428754 0.77 GBA1 (0.39) GBA1SSTR4POLBSSTR2
SCHEMBL10374977 0.77 GBA1 (0.36) GBA1
SCHEMBL9867117 0.77 L3MBTL1 (0.43) NPC1RAB9AKDM4EPOLB
SCHEMBL9866251 0.75 SIGMAR1 (0.42) NPC1RAB9ATSHR
SCHEMBL7428749 0.75 GBA1 (0.36) GBA1
Hydrochloric Acid SCHEMBL9827936 0.74 GBA1 (0.35) GBA1
SCHEMBL7425273 0.71 SSTR4 (0.47) GBA1AGTR1SSTR4ALDH1A1SSTR2
SCHEMBL9865107 0.70 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL8617900 0.70 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9867346 0.70 HRH3 (0.45) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B

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-1019050-B1 USE OF SOMATOSTATIN AGONISTS AND ANTAGONISTS FOR TREATING DISEASES RELATED TO THE EYE NOVO NORDISK AS (DK) 2002-03-20 EP claimed