SCHEMBL7965031

SCHEMBL7965031

CC(=O)ON1CCC(c2n[nH]c3cccc(C)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPK6 Q16659 1/20 0.37
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
CRHR1 P34998 1/20 0.33
ADRA2A P08913 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PARP1 P09874 1/20 0.32
SLC18A3 Q16572 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM4 Q14833 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL24331548 0.79 JAK2 (0.47) KDM4EPARP1MEN1TP53KMT2A
Acetic Acid SCHEMBL7965027 0.78 HTR2C (0.41) MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A
SCHEMBL26912560 0.73 ITK (0.39) MAPK1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL27978875 0.71 RBP4 (0.42) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL31602545 0.68 JAK2 (0.47) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL27604008 0.67 SLC18A3 (0.58) ALDH1A1SLC18A3CYP1A2SMN1; SMN2POLB
SCHEMBL24330086 0.67 MAPT (0.46) KDM4ESMN1; SMN2MEN1TP53KMT2A
SCHEMBL5137240 0.65 SLC6A4 (0.40) MAPK1ABL1BCRKDM4EHSD17B10
SCHEMBL31602768 0.65 JAK2 (0.44) KDM4EPARP1MEN1KMT2AMAPT
SCHEMBL1574221 0.63 KDM4E (0.39) MAPK1ABL1BCRKDM4EHPGD

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed