SCHEMBL7336941

SCHEMBL7336941

CC(C)(C)NC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.56
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
NPC1 O15118 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MC4R P32245 1/20 0.43
LOXL2 Q9Y4K0 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
SCHEMBL7336938 1.00 MMP2 (0.56) MMP2LMNAMEN1KMT2AMMP1
SCHEMBL7365536 1.00 MMP2 (0.56) MMP2LMNAMEN1KMT2AMMP1
SCHEMBL6798022 0.84 MMP2 (0.56) MMP2LMNAMEN1KMT2AMMP1
SCHEMBL7065249 0.84 MMP2 (0.56) MMP2LMNAMEN1KMT2AMMP1
SCHEMBL7065251 0.84 MMP2 (0.56) MMP2LMNAMEN1KMT2AMMP1
Hydrochloric Acid SCHEMBL6803383 0.83 MMP2 (0.55) MMP2LMNAMEN1KMT2AMMP1
Hydrochloric Acid SCHEMBL6803379 0.83 MMP2 (0.55) MMP2LMNAMEN1KMT2AMMP1
SCHEMBL4930706 0.82 CSK (0.59) MMP2LMNAMEN1KMT2ADPP4
SCHEMBL4930693 0.82 CSK (0.59) MMP2LMNAMEN1KMT2ADPP4
SCHEMBL12194013 0.81 MMP2 (0.47) MMP2LMNAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed
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