SCHEMBL7963306

SCHEMBL7963306

O=C(ON1CCC(c2cncc3ccccc23)CC1)C(=O)ON1CCC(c2cncc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PREP P48147 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP4 P27487 1/20 0.35
RBP4 P02753 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL8145710 0.78 DRD2 (0.40) MAPK1CYP11B2CYP11B1DRD2SLC6A4
SCHEMBL13728399 0.78 CYP11B2 (0.42) CYP11B2CYP11B1DRD2SLC6A4KMT2A
SCHEMBL8145712 0.77 DRD2 (0.48) CYP11B2CYP11B1DRD2SLC6A4HRH3
SCHEMBL7965544 0.77 CYP11B2 (0.55) CYP11B2MEN1KMT2APOLB
SCHEMBL28442398 0.75 TDP1 (0.41) CYP11B2CYP11B1DRD2SLC6A4
Cyclohexane SCHEMBL22288135 0.74 TDP1 (0.44) CYP11B2CYP11B1
SCHEMBL11665783 0.74 TDP1 (0.44) CYP11B2CYP11B1
Oxalic Acid SCHEMBL7963303 0.73 HTR6 (0.44)
SCHEMBL9674756 0.73 DRD2 (0.50) MAPK1DRD2SLC6A4HRH3MEN1
SCHEMBL30735834 0.71 HTR2C (0.49) SLC6A4

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed