SCHEMBL7380296

SCHEMBL7380296

CC(C)CCN1CCCCC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.44
REN P00797 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A1 P30531 2/20 0.43
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.42
PEPD P12955 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH1 P35367 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL18735809 0.95 ACE (0.49) ACERENRAB9AKDM4EF2
SCHEMBL22021311 0.95 ACE (0.49) ACERENRAB9AKDM4EF2
SCHEMBL16681841 0.95 ACE (0.49) ACERENRAB9AKDM4EF2
SCHEMBL26121576 0.88 BLM (0.41) ACERENRAB9ASMN1; SMN2SLC6A1
SCHEMBL13312887 0.87 CNR1 (0.40) ACERENRAB9ASMN1; SMN2SLC6A1
SCHEMBL7388386 0.86 ACE (0.41) ACERENRAB9ASMN1; SMN2SLC6A1
SCHEMBL8197078 0.84 ACE (0.46) ACERENRAB9AKDM4EF2
SCHEMBL26123425 0.83 ACE (0.43) ACERENRAB9AKDM4EF2
SCHEMBL3711047 0.83 CNR1 (0.47) ACERENRAB9ASMN1; SMN2SLC6A1
SCHEMBL3711045 0.83 CNR1 (0.47) ACERENRAB9ASMN1; SMN2SLC6A1

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
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 US disclosed
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 WO disclosed