SCHEMBL28701004

SCHEMBL28701004

O=C1c2ccccc2C(=O)N1[C@H]1CN(c2ccc(Br)cn2)C[C@@H]1Oc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 9/20 0.38
▸ HCRTR1 O43613 7/20 0.38
▸ TSHR P16473 1/20 0.37
▸ RET P07949 6/20 0.37
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ USP2 O75604 1/20 0.34

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
SCHEMBL31144052 1.00 HCRTR2 (0.38) HCRTR2HCRTR1TSHRRETGRIN2D
SCHEMBL26919352 0.76 ACACB (0.39) HCRTR2HCRTR1RETGRIN2DGRIN3B
SCHEMBL20959095 0.73 ALDH1A1 (0.44) HCRTR2HCRTR1TSHR
Hydrochloric Acid SCHEMBL31144002 0.72 FURIN (0.37) HCRTR2TSHR
Hydrochloric Acid SCHEMBL28713483 0.72 FURIN (0.37) HCRTR2TSHR
SCHEMBL28840055 0.72 GRIN2D (0.41) HCRTR2HCRTR1RETGRIN2DGRIN3B
SCHEMBL29782901 0.71 PDE10A (0.48) RETGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29749185 0.71 PDE10A (0.41) RETACACB
SCHEMBL29782960 0.70 ACACB (0.40) HCRTR2HCRTR1RETACACB
SCHEMBL11356194 0.66 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-113461670-A Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2021-10-01 — — CN disclosed
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