SCHEMBL29609441

SCHEMBL29609441

CN(C)c1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.58
MCHR1 Q99705 2/20 0.58
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
LMNA P02545 1/20 0.57
PAX8 Q06710 2/20 0.48
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.45
CTSK P43235 4/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL135108 1.00 NPBWR1 (0.58) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL11726504 0.91 NPBWR1 (0.56) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL11729873 0.90 NPBWR1 (0.55) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL11731461 0.89 NPBWR1 (0.54) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL17074612 0.87 RAB9A (0.59) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL11726185 0.85 NPBWR1 (0.53) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL11748503 0.85 NPBWR1 (0.51) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL18448006 0.84 NPBWR1 (0.58) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL3037242 0.83 NPC1 (0.64) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL11729546 0.82 ALDH1A1 (0.58) NPBWR1MCHR1RAB9ANPC1SMN1; SMN2

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-2022114954-A1 BIOACTIVE COMPLEXES CERADIS PATENT B.V. (NL) 2022-06-02 WO disclosed