SCHEMBL8947196

SCHEMBL8947196

CCOC(=O)CC12CCCC(CC1)N2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
SIGMAR1 Q99720 3/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8946980 0.86 HTR2C (0.43) KDM4ESIGMAR1POLBPKMLMNA
SCHEMBL11345558 0.74 LMNA (0.39) KDM4ESIGMAR1POLBPKMLMNA
SCHEMBL4591916 0.72 KDM4E (0.43) KDM4EPOLBPKMLMNAMAPT
SCHEMBL25566966 0.72 CYP2D6 (0.42) SIGMAR1ALDH1A1CYP2D6
SCHEMBL3250253 0.72 OPRK1 (0.51) SIGMAR1POLBALDH1A1
SCHEMBL3247032 0.72 OPRK1 (0.51) SIGMAR1POLBALDH1A1
SCHEMBL8912102 0.71 USP2 (0.40) KDM4EPOLBPKMLMNAMAPT
SCHEMBL2206046 0.71 SIGMAR1 (0.59) SIGMAR1POLBLMNAALDH1A1L3MBTL1
SCHEMBL4123527 0.70 SIGMAR1 (0.58) SIGMAR1POLBLMNAALDH1A1L3MBTL1
SCHEMBL485328 0.70 SIGMAR1 (0.55) KDM4ESIGMAR1POLBLMNAALDH1A1

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-5561149-A FOR NASAL ADMINISTRATION SANDOZ LTD. (CH) 1996-10-01 US disclosed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed