SCHEMBL9753632

SCHEMBL9753632

O=C(O)C1=C(C(=O)OC(=O)[C@@H]2CCCN2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2C P28335 3/20 0.32
DPP4 P27487 5/20 0.32
PSMB8 P28062 1/20 0.32
HTR2B P41595 2/20 0.32
SCN4A P35499 1/20 0.31
DPP8 Q6V1X1 3/20 0.31
DPP9 Q86TI2 2/20 0.31
MEN1 O00255 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL6859669 0.76 NOS2 (0.46) ELANENOS2NOS3NOS1DPP4
SCHEMBL995604 0.76 NOS2 (0.46) ELANENOS2NOS3NOS1DPP4
SCHEMBL146828 0.76 NOS2 (0.46) ELANENOS2NOS3NOS1DPP4
SCHEMBL17503226 0.75 NOS2 (0.42) ELANENOS2NOS3NOS1CYP1A2
SCHEMBL252316 0.74 DHODH (0.38)
SCHEMBL383987 0.74 ELANE (0.48) ELANECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28789391 0.74 ELANE (0.48) ELANECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21385077 0.73 ELANE (0.47) ELANECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9737609 0.73 NOS2 (0.43) ELANENOS2NOS3NOS1DPP4
SCHEMBL6281715 0.72 KDM4E (0.32)

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
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed