SCHEMBL10644239

SCHEMBL10644239

CN1CCC(O)(CN(C)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
MAOB P27338 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 6/20 0.41
SIGMAR1 Q99720 2/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
MC4R P32245 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRL1 P41146 4/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL27655696 0.85 NAMPT (0.43) HTR1DHTR1BOPRM1SIGMAR1OPRD1
SCHEMBL9179579 0.81 HRH3 (0.49) HTR1DHTR1BHRH3OPRM1SIGMAR1
SCHEMBL156472 0.78 OPRL1 (0.61) OPRM1MC4ROPRD1OPRK1SLC6A4
SCHEMBL5520738 0.78 JAK2 (0.50) OPRD1OPRK1TSHRALOX15
SCHEMBL18081021 0.72 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC6A4ADRA1A
SCHEMBL10641408 0.72 CD274 (0.45) HTR1DHTR1BOPRM1SIGMAR1MC4R
SCHEMBL17606451 0.72 OPRL1 (0.58) OPRM1SIGMAR1MC4ROPRL1TSHR
SCHEMBL10516603 0.72 SLC6A2 (0.31) SLC6A4
SCHEMBL15681094 0.71 OPRM1 (0.60) MAOBOPRM1SIGMAR1MC4ROPRK1
SCHEMBL18986523 0.71 KDM4E (0.48) OPRM1SIGMAR1MC4ROPRL1TSHR

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
EP-0295833-A1 Aromatic-Spiropiperidine oxazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-12-21 EP disclosed