SCHEMBL7823617

SCHEMBL7823617

O=C(O)[C@](O)(Cc1cnccn1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.46
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
KCNA5 P22460 1/20 0.44
IDO1 P14902 1/20 0.41
NAMPT P43490 1/20 0.40
FDPS P14324 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NR3C2 P08235 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL7823614 1.00 VNN1 (0.46) VNN1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3243595 0.83 VNN1 (0.43) VNN1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9302450 0.82 VNN1 (0.42) VNN1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9302445 0.82 VNN1 (0.42) VNN1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9661857 0.81 KCNA5 (0.44) VNN1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9661853 0.81 KCNA5 (0.44) VNN1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7826774 0.79 KMT2A (0.37) CYP2C9CYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL7826776 0.79 KMT2A (0.37) CYP2C9CYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL7675394 0.77 CYP1A2 (0.69) CYP2C9CYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL8309619 0.74 VNN1 (0.38) VNN1CYP2C9CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed