SCHEMBL6693503

SCHEMBL6693503

COCCCCCc1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
MAOA P21397 2/20 0.52
CYP19A1 P11511 1/20 0.50
TSHR P16473 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL29684100 0.85 MAOB (0.59) MAOBMAOACYP19A1TSHRSIGMAR1
SCHEMBL6678878 0.85 MAOB (0.59) MAOBMAOACYP19A1TSHRSIGMAR1
SCHEMBL30637158 0.85 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL30211975 0.85 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL28770903 0.85 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL18045550 0.83 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL29436975 0.83 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1CYP3A4
SCHEMBL610114 0.83 TAAR1 (0.46) MAOATAAR1
Hydrochloric Acid SCHEMBL613036 0.81 TAAR1 (0.45) MAOATAAR1
SCHEMBL611421 0.81 TAAR1 (0.47) MAOACYP4F2CYP4A11TAAR1

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
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed