SCHEMBL7684046

SCHEMBL7684046

CC(C)(O)CNCc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
ABAT P80404 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13573531 0.85 EPHX2 (0.45) KMT2AMEN1ANPEPERAP2CYP2D6
SCHEMBL21799683 0.84 TPSAB1 (0.42) TPSAB1KMT2AMEN1ANPEPERAP2
SCHEMBL2013167 0.80 MEN1 (0.57) KMT2AMEN1CYP3A4LMNAHTT
SCHEMBL21800101 0.79 ANPEP (0.39) TPSAB1KMT2AMEN1ANPEPERAP2
SCHEMBL23160258 0.78 LMNA (0.61) KMT2AMEN1ANPEPERAP2LMNA
SCHEMBL2581883 0.76 LOXL2 (0.43) TPSAB1KMT2AANPEPERAP2CYP2D6
SCHEMBL21799653 0.73 OPRM1 (0.40) TPSAB1KMT2AMEN1ANPEPERAP2
SCHEMBL19580441 0.73 LOXL2 (0.50) ABATLOXL2HRH3SMN1; SMN2NOS3
SCHEMBL8397161 0.73 TPSAB1 (0.47) TPSAB1ANPEPERAP2CYP2D6CYP2C9
SCHEMBL24818858 0.72 HTT (0.35) KMT2AMEN1CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed