SCHEMBL6423666

SCHEMBL6423666

CC1(C)C2CCC(=Cc3ccccc3)C1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA7 P36544 1/20 0.38
CXCR3 P49682 5/20 0.36
KDM1A O60341 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
CYP1A2 P05177 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL31414174 0.66 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3169434 0.65 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Phenylhydrazine SCHEMBL3087254 0.64 CYP1A2 (0.40) CXCR3KDM1AMAOAMAOBCYP1A2
SCHEMBL10405098 0.63 HPGD (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL118039 0.63 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL1719695 0.63 TSHR (0.43) TSHRMAPK1
SCHEMBL19184514 0.62 CYP1A2 (0.47) KDM1AMAOAMAOBCYP1A2HPGD
Beta-Pinene SCHEMBL1636093 0.61 TSHR (0.38) TSHRMAPK1
SCHEMBL1388342 0.61 TSHR (0.38) CXCR3TSHRMAPK1
Beta-Pinene SCHEMBL13300 0.61 TSHR (0.38) TSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10198478-B2 Methods and systems for technology analysis and mapping MAGIC NUMBER, INC. (US) 2019-02-05 US disclosed
US-20170046398-A1 Methods and systems for technology analysis and mapping SPORE, INC. (US) 2017-02-16 US disclosed
US-20050192968-A1 Methods and systems for technology analysis and mapping MAGIC NUMBER, INC. 2005-09-01 US disclosed
US-5434295-A Central nervous system YISSUM RESEARCH DEVELOPMENT COMPANY (IL) 1995-07-18 US disclosed