SCHEMBL28849366

SCHEMBL28849366

C[C](C)CN1CCCC1c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 4/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
CPT1A P50416 5/20 0.42
CPT2 P23786 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
CPT1B Q92523 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL15453608 0.86 SMN1; SMN2 (0.45) TRPV1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL28170785 0.82 SMN1; SMN2 (0.48) TRPV1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL17201777 0.79 SMN1; SMN2 (0.46) TRPV1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL2035962 0.78 TRPV1 (0.59) TRPV1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL28146404 0.77 CYP2D6 (0.42)
SCHEMBL1953343 0.75 HSD11B1 (0.55) TRPV1CPT1ACPT2CPT1B
SCHEMBL1953345 0.75 HSD11B1 (0.55) TRPV1CPT1ACPT2CPT1B
SCHEMBL27780485 0.72 CPT1A (0.59) TRPV1RAB9ANPC1CPT1ACPT2
SCHEMBL15453437 0.72 CPT1A (0.57) TRPV1CPT1ACPT2CPT1B
SCHEMBL15453500 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1L3MBTL1RAB9AMEN1

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
CN-107074839-A Composition and method for treating the metabolism illness related to body weight 贝勒医学院 2017-08-18 CN claimed
CN-107074839-A Composition and method for treating the metabolism illness related to body weight 贝勒医学院 2017-08-18 CN disclosed