SCHEMBL7964098

SCHEMBL7964098

CC(C)(C)OC(=O)N1CCC(C(O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EED O75530 1/20 0.50
RBBP4 Q09028 1/20 0.50
SUZ12 Q15022 1/20 0.50
EZH2 Q15910 1/20 0.50
AEBP2 Q6ZN18 1/20 0.50
GPR119 Q8TDV5 6/20 0.49
MMP13 P45452 2/20 0.48
P2RX3 P56373 1/20 0.48
DPP4 P27487 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
IDO1 P14902 3/20 0.44

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
SCHEMBL8517716 0.90 GPR119 (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL1405370 0.85 GPR119 (0.59) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL22558670 0.85 GPR119 (0.59) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL5705691 0.82 MAPT (0.52) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL4248552 0.82 ALDH1A1 (0.61) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL4240647 0.81 ALDH1A1 (0.52) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL4393991 0.81 MMP13 (0.55) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL2520399 0.81 ALDH1A1 (0.55) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL4244525 0.81 ALDH1A1 (0.52) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL4239889 0.81 ALDH1A1 (0.52) MAPTNPC1ALDH1A1MAPK1HTT

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 2 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
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed