SCHEMBL9013497

SCHEMBL9013497

CCCCCCCCCC1(CCCCC2(c3ccc(C#N)cc3)CCCCC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
CNR1 P21554 3/20 0.46
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
SLC6A2 P23975 4/20 0.35
MGLL Q99685 1/20 0.34
PGR P06401 2/20 0.34
CYP19A1 P11511 2/20 0.34
GRM2 Q14416 1/20 0.34
ICMT O60725 1/20 0.34

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
SCHEMBL9013226 1.00 CNR2 (0.46) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL9013631 1.00 CNR2 (0.46) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL9013473 1.00 CNR2 (0.46) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL9013703 0.99 CNR2 (0.44) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL9014405 0.96 CNR2 (0.42) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL8735120 0.95 CNR2 (0.50) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL8734995 0.93 CNR2 (0.48) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL11574164 0.91 TSHR (0.51) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL10721091 0.89 TSHR (0.49) CNR2CNR1TSHRHSD17B10SLC6A4
SCHEMBL14861187 0.89 CNR2 (0.43) CNR2CNR1TSHRHSD17B10SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP disclosed
US-5468421-A Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1995-11-21 US disclosed
EP-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 EP disclosed