SCHEMBL9855909

SCHEMBL9855909

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C#Cc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
GRM2 Q14416 1/20 0.37
FFAR1 O14842 2/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.33
BCHE P06276 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SIGMAR1 Q99720 1/20 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
SCHEMBL9495496 1.00 HRH3 (0.37) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9495491 1.00 HRH3 (0.37) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9497063 0.96 GRM2 (0.41) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9855177 0.96 GRM2 (0.41) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9497068 0.96 GRM2 (0.41) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9855467 0.95 GRM2 (0.43) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9498464 0.95 GRM2 (0.43) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9496312 0.95 GRM2 (0.43) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9498472 0.95 GRM2 (0.43) HRH3GRM2FFAR1TSHRHSD17B10
SCHEMBL9496307 0.95 GRM2 (0.43) HRH3GRM2FFAR1TSHRHSD17B10

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
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed