SCHEMBL9494953

SCHEMBL9494953

CCCCCC1CCC(C#Cc2ccc(F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
FFAR1 O14842 3/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
MAPT P10636 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.33
PAX8 Q06710 3/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
P2RY6 Q15077 1/20 0.32
GRIN2B Q13224 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
SCHEMBL9494952 1.00 GRM2 (0.38) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9497783 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9495350 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9498353 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9498218 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9494906 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9497773 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9494914 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9498348 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4
SCHEMBL9495359 0.99 GRM2 (0.40) GRM2FFAR1MEN1KMT2AFFAR4

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-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed