SCHEMBL7674233

SCHEMBL7674233

COC(=O)C(=O)Nc1ccccc1C1CCN(C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.43
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DRD4 P21917 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SSTR1 P30872 1/20 0.35

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
SCHEMBL6606758 0.84 KMT2A (0.47) RBP4HSD17B10KMT2AMEN1CYP2D6
SCHEMBL6608352 0.83 NAMPT (0.51) RBP4ALDH1A1
SCHEMBL7671079 0.79 HTR2C (0.50) HSD17B10
Hydrochloric Acid SCHEMBL6604959 0.78 HTR2C (0.51) HSD17B10
SCHEMBL7673219 0.71 NAMPT (0.53) RBP4ALDH1A1
SCHEMBL13556439 0.70 CETP (0.46) RBP4HSD17B10KMT2AMEN1CYP2D6
SCHEMBL8333919 0.69 GPR119 (0.54) KMT2AMEN1SMN1; SMN2
SCHEMBL7670250 0.69 NAMPT (0.54) ALDH1A1
SCHEMBL5497672 0.68 LPAR1 (0.52) KMT2AALDH1A1L3MBTL1
SCHEMBL7812713 0.68 GRIN2D (0.42) RBP4KMT2AMEN1USP2

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-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed