SCHEMBL2500840

SCHEMBL2500840

COc1ccc(CN[C@H]2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.59
SCN9A Q15858 1/20 0.55
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM1A O60341 2/20 0.51
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
EPHX2 P34913 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL372599 0.83 HPGD (0.51) SSTR3SCN9ASMN1; SMN2KDM1AMAOA
SCHEMBL5384594 0.83 HPGD (0.51) SSTR3SCN9ASMN1; SMN2KDM1AMAOA
SCHEMBL5394785 0.83 HPGD (0.51) SSTR3SCN9ASMN1; SMN2KDM1AMAOA
SCHEMBL3044112 0.82 S1PR5 (0.53)
SCHEMBL4480119 0.82 SSTR3 (0.63) SSTR3SCN9AKMT2ASMN1; SMN2RAB9A
SCHEMBL8313950 0.81 SSTR3 (0.64) SSTR3KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22105522 0.80 SSTR3 (0.54) SSTR3SCN9ASMN1; SMN2NPC1RAB9A
SCHEMBL3037877 0.78 S1PR5 (0.52) SSTR3
SCHEMBL26129575 0.77 SSTR3 (0.57) SSTR3SMN1; SMN2NPC1RAB9AKDM1A
SCHEMBL26126666 0.77 SSTR3 (0.57) SSTR3SMN1; SMN2NPC1RAB9AKDM1A

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
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed