SCHEMBL7367648

SCHEMBL7367648

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.56
HRH3 Q9Y5N1 4/20 0.54
LNPEP Q9UIQ6 3/20 0.53
PKM P14618 1/20 0.53
LTA4H P09960 4/20 0.51
RAB9A P51151 3/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LAP3 P28838 1/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ADAM33 Q9BZ11 1/20 0.49

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
SCHEMBL7373437 1.00 DPP7 (0.56) DPP7HRH3LNPEPPKMLTA4H
SCHEMBL7365786 0.88 NPC1 (0.55) DPP7LNPEPLTA4HRAB9ALAP3
SCHEMBL7696633 0.83 DPP7 (0.60) DPP7HRH3LNPEPLTA4HRAB9A
SCHEMBL7365328 0.83 NPC1 (0.56) DPP7HRH3LTA4HRAB9ANPC1
SCHEMBL7341842 0.83 NPC1 (0.56) DPP7HRH3LTA4HRAB9ANPC1
SCHEMBL7366398 0.82 DPP7 (0.71) DPP7HRH3LTA4HRAB9ALAP3
SCHEMBL7371156 0.81 HTT (0.57) DPP7HRH3LNPEPLTA4HRAB9A
SCHEMBL27386689 0.80 LTA4H (0.65) LNPEPLTA4HLAP3
SCHEMBL7281929 0.79 MMP9 (0.63) LNPEPLTA4HLAP3
Hydrochloric Acid SCHEMBL10350044 0.78 MMP9 (0.62) LNPEPLTA4HLAP3

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-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