SCHEMBL7339569

SCHEMBL7339569

COc1cc(C(=O)NC2CN(C)N(C)C2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PKM P14618 1/20 0.61
MMP2 P08253 4/20 0.60
ANPEP P15144 3/20 0.60
MAPK1 P28482 1/20 0.60
OPRK1 P41145 1/20 0.60
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
SLC29A1 Q99808 1/20 0.51
CXCR6 O00574 1/20 0.50
CXCR4 P61073 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50

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
SCHEMBL3140700 0.82 POLB (0.77) MEN1KMT2APKMMMP2ANPEP
SCHEMBL463415 0.78 MAPK1 (0.74) MEN1KMT2APKMMMP2ANPEP
SCHEMBL21928911 0.78 MAPK1 (0.58) MEN1KMT2APKMMMP2ANPEP
SCHEMBL10108811 0.78 MAPK1 (0.58) MEN1KMT2APKMMMP2ANPEP
SCHEMBL21834930 0.78 MAPK1 (0.58) MEN1KMT2APKMMMP2ANPEP
SCHEMBL463419 0.77 MAPK1 (0.57) MEN1KMT2APKMMMP2ANPEP
SCHEMBL10123862 0.77 TSHR (0.58) MEN1KMT2AMAPK1OPRK1TSHR
SCHEMBL12065590 0.76 MAPK1 (0.56) MEN1KMT2APKMMMP2ANPEP
SCHEMBL21034369 0.76 MAPK1 (0.56) MEN1KMT2APKMMMP2ANPEP
SCHEMBL11833305 0.76 SIGMAR1 (0.59) MEN1KMT2AMAPK1OPRK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4624961-A LEARNING ENHANCEMENT A. H. ROBINS COMPANY, INCORPORATED (US) 1986-11-25 US claimed
EP-0161074-B1 GASTROKINETIC AND ANTIEMETIC N-(1-SUBSTITUTED-4,5-DIHYDRO-1H-PYRAZOL-4-YL)BENZAMIDES A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-03 EP disclosed
US-4624961-A LEARNING ENHANCEMENT A. H. ROBINS COMPANY, INCORPORATED (US) 1986-11-25 US disclosed
EP-0161074-A1 Gastrokinetic and antiemetic n-(1-substituted-4,5-dihydro-1h-pyrazol-4-yl)benzamides A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-13 EP disclosed
US-4547518-A Antiemetic N-(1-substituted-4,5-dihydro-1H-pyrazol-4-yl)benzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1985-10-15 US disclosed
US-4207327-A N-(4-Pyrazolidinyl)benzamides and their amino precursors A. H. ROBINS COMPANY, INC. (US) 1980-06-10 US disclosed