SCHEMBL6975846

SCHEMBL6975846

COC(=O)n1cnc(CO)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CPB2 Q96IY4 6/20 0.31
P2RX7 Q99572 1/20 0.31
CPB1 P15086 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
MTOR P42345 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.31
LPO P22079 2/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14571377 0.86 LPO (0.37) CYP3A4CPB2CPB1CYP2C9TSHR
SCHEMBL4145435 0.81 GPR119 (0.36)
SCHEMBL4619526 0.79 P2RX4 (0.38) CPB2CPB1TSHRMAPTTDP1
SCHEMBL1779971 0.79 CPB2 (0.40) CPB2CPB1
SCHEMBL9669278 0.77 PDE3B (0.33) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL26830769 0.76 MAPT (0.36) CYP3A4MAPTLPO
SCHEMBL27397934 0.74 POLB (0.33) CYP3A4LPO
SCHEMBL14825921 0.74 CYP3A4 (0.33) CYP3A4TSHRLPO
SCHEMBL26242737 0.72
SCHEMBL24712832 0.71 LPO (0.38) CPB2CPB1MAPTLPO

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
CN-1152873-C Novel diphenyl-piperidine derivate 2004-06-09 CN disclosed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed
CN-1361775-A Novel diphenyl-piperidine derivate ASTRAZENECA UK LTD (GB) 2002-07-31 CN disclosed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed