SCHEMBL9359031

SCHEMBL9359031

CCCC1CCC(C(C)c2ccc(C#N)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
CYP2A6 P11509 1/20 0.36
KDM1A O60341 1/20 0.35
GRIA4 P48058 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
GRM2 Q14416 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
SCHEMBL8372785 0.96 HRH3 (0.34) HRH3GRIA1GRIA2GRIA3CYP2A6
SCHEMBL10479934 0.96 HRH3 (0.34) HRH3GRIA1GRIA2GRIA3CYP2A6
SCHEMBL8376587 0.93 HRH3 (0.37) HRH3GRIA1GRIA2GRIA3KDM1A
SCHEMBL8857679 0.81 CCR5 (0.39) HSD17B10SLC6A2SLC6A4
SCHEMBL10968057 0.80 KDM1A (0.37) HRH3KDM1ATSHRHSD17B10MAOB
SCHEMBL10932784 0.80 HRH3 (0.34) HRH3CYP2A6CYP19A1MAOAMAOB
SCHEMBL10932772 0.80 HRH3 (0.34) HRH3CYP2A6CYP19A1MAOAMAOB
SCHEMBL8483120 0.80 GAA (0.39) HRH3SIGMAR1
SCHEMBL1031530 0.80 GAA (0.39) HRH3SIGMAR1
SCHEMBL9348274 0.79 FASN (0.38) HRH3KDM1A

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
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed