SCHEMBL7367718

SCHEMBL7367718

CCCN1CCCC(NC(=O)C(N)Cc2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.52
LTA4H P09960 4/20 0.50
EPHX2 P34913 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
YAP1 P46937 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
DRD3 P35462 1/20 0.45
LNPEP Q9UIQ6 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL7337109 0.87 YAP1 (0.49) KDM2BLTA4HEPHX2YAP1RAB9A
SCHEMBL7366751 0.86 KDM2B (0.52) KDM2BLTA4HEPHX2L3MBTL1HTT
SCHEMBL8177808 0.84 KDM2B (0.62) KDM2BLTA4HEPHX2L3MBTL1HTT
SCHEMBL7371945 0.84 RAB9A (0.55) LTA4HEPHX2HRH3NPC1RAB9A
SCHEMBL7337102 0.83 YAP1 (0.47) KDM2BLTA4HEPHX2L3MBTL1YAP1
SCHEMBL7364841 0.80 SLC6A5 (0.61) HRH3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7368538 0.80 SLC6A5 (0.61) HRH3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7342587 0.79 YAP1 (0.51) YAP1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL7366593 0.79 UTS2R (0.46) KDM2BYAP1
SCHEMBL7371156 0.76 HTT (0.57) LTA4HL3MBTL1HTTHRH3NPC1

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
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed