SCHEMBL20192197

SCHEMBL20192197

Cc1cccc(C#Cc2cccc(C(C)C)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
PKM P14618 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP2C19 P33261 1/20 0.63
THPO P40225 1/20 0.63
KMT2A Q03164 1/20 0.63
GRIN2B Q13224 1/20 0.63
GRM1 Q13255 1/20 0.63

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
SCHEMBL4711547 0.81 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711543 0.81 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4713737 0.80 GRM5 (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29355216 0.78 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL103061 0.78 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711036 0.78 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710830 0.78 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710415 0.78 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712585 0.78 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712241 0.78 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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
US-9981043-B2 Analgesic conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-29 US disclosed
US-9981043-B2 Analgesic conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-29 US disclosed