SCHEMBL2469093

SCHEMBL2469093

CC1(C)C2CCC(C2)C1(C)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNA7 P36544 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNA1 P02708 3/20 0.48
CHRNG P07510 3/20 0.48
CHRNB1 P11230 3/20 0.48
CHRND Q07001 3/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
CHRNE Q04844 1/20 0.48
CHRNA2 Q15822 1/20 0.48
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 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
SCHEMBL11802690 0.82 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4174626 0.78 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20833486 0.72 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721186 0.70 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721187 0.70 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721326 0.70 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1697314 0.70 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721327 0.70 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721330 0.70 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL26934727 0.70 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481013-B2 Compounds having sandalwood odors FIRMENICH SA (CH) 2013-07-09 US disclosed
WO-2013026852-A2 DERIVATIVES OF MECAMYLAMINE THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed
EP-2370178-B1 COMPOUNDS HAVING SANDALWOOD ODORS FIRMENICH & CIE (CH) 2012-11-14 EP disclosed
EP-2370178-A2 COMPOUNDS HAVING SANDALWOOD ODORS Firmenich S.A. (CH) 2011-10-05 EP disclosed
WO-2010061316-A2 COMPOUNDS HAVING SANDALWOOD ODORS FIRMENICH SA (CH) 2010-06-03 WO disclosed