SCHEMBL6637951

SCHEMBL6637951

CCC(CC)(C(=O)O)C(=O)OCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 1/20 0.52
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
SYK P43405 2/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL9366627 0.86 CA12 (0.49) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL12217295 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL12193374 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL5603445 0.79 ALDH1A1 (0.55) NPC1RAB9ALMNASLC6A2ALDH1A1
SCHEMBL6570361 0.78 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11377704 0.76 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL10711397 0.76 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2LMNAPGR
Trifluoroacetic Acid SCHEMBL27817954 0.75 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL30753585 0.75 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL12320823 0.75 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2LMNAPGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757685-B1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER (US) 2004-07-21 EP disclosed
US-5854232-A Acyclic anc cyclic amides as neurotransmitter release enhancers PFIZER INC. (US) 1998-12-29 US disclosed
EP-0757685-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1997-02-12 EP disclosed
WO-1995029909-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1995-11-09 WO disclosed