SCHEMBL7904069

SCHEMBL7904069

C[N+](C)(C)c1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HRH1 P35367 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX5 P09917 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL30625691 1.00 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1DRD2
Trifluoromethanesulfonic Acid SCHEMBL2334847 0.82 GPR3 (0.37) HTR2ADRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL2475098 0.82 KDM4E (0.42) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL28423034 0.82 KDM4E (0.47) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL30625689 0.77 CALM1 (0.44) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL972711 0.75 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL27015268 0.75 GABRA1 (0.42) L3MBTL1TP53LMNA
SCHEMBL27953328 0.73 GABRA1 (0.41) L3MBTL1TP53HPGDLMNA
SCHEMBL275838 0.72 CALM1 (0.55) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL29940610 0.72 CALM1 (0.55) CALM1HTR2ABCL2BCL2L1DRD2

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
US-6204337-B1 Solid-phase synthesis of codeine from morphine THE BOARD OF REGENTS OF THE UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVEDA 2001-03-20 US disclosed
US-5981750-A Solid-phase synthesis of codeine from morphine THE BOARD OF REGENTS OF THE UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVADA (US) 1999-11-09 US disclosed
WO-1997019082-A1 SOLID-PHASE SYNTHESIS OF CODEINE FROM MORPHINE THE BOARD OF REGENTS OF THE UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVADA ON BEHALF OF THE UNIVERSITY OF NEVADA-RENO (US) 1997-05-29 WO disclosed