SCHEMBL22899588

SCHEMBL22899588

CC(C)NCc1ccccccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.65
POLB P06746 1/20 0.55
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
HRH1 P35367 1/20 0.48
IDO1 P14902 2/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASR P41180 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
SLC18A2 Q05940 1/20 0.46

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
SCHEMBL143708 1.00 SIGMAR1 (0.65) SIGMAR1POLBCYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL1331235 0.98 SIGMAR1 (0.63) SIGMAR1POLBCYP3A4MAPTKDM4E
Bromide SCHEMBL1331742 0.98 SIGMAR1 (0.63) SIGMAR1POLBCYP3A4MAPTKDM4E
Ammonia Solution, Strong SCHEMBL15917374 0.98 SIGMAR1 (0.63) SIGMAR1POLBCYP3A4MAPTKDM4E
Methyl Alcohol SCHEMBL29261100 0.95 SIGMAR1 (0.61) SIGMAR1POLBCYP3A4MAPTKDM4E
Alcohol SCHEMBL9136417 0.91 SIGMAR1 (0.57) SIGMAR1POLBCYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL3332713 0.89 SIGMAR1 (0.55) SIGMAR1POLBCYP3A4MAPTKDM4E
Toluene SCHEMBL27514860 0.89 SMN1; SMN2 (0.61) SIGMAR1POLBCYP3A4MAPTKDM4E
Putrescine SCHEMBL8006412 0.88 SIGMAR1 (0.53) SIGMAR1POLBCYP3A4MAPTKDM4E
SCHEMBL22462469 0.88 SIGMAR1 (0.53) SIGMAR1POLBCYP3A4MAPTKDM4E

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
WO-2021011689-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2021-01-21 WO disclosed