SCHEMBL28601495

SCHEMBL28601495

CC(C)(C)NC(=O)O[C@@H]1CCN(c2ccc3ccc(C(F)(F)F)cc3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
MCHR1 Q99705 7/20 0.43
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 3/20 0.41
UGT8 Q16880 1/20 0.39
LIPG Q9Y5X9 2/20 0.39
LIPC P11150 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL28607395 0.85 HRH3 (0.48) HRH3MCHR1LIPGLIPC
SCHEMBL28607394 0.85 HRH3 (0.48) HRH3MCHR1LIPGLIPC
SCHEMBL5873570 0.81 MAP4K4 (0.41) MCHR1ACACB
SCHEMBL22499928 0.80 NOTUM (0.53) HRH3ACACBLIPGLIPC
SCHEMBL28597269 0.80 NOTUM (0.53) HRH3ACACBLIPGLIPC
Hydrochloric Acid SCHEMBL5873525 0.80 MCHR1 (0.73) MCHR1
SCHEMBL28603230 0.80 LIPG (0.49) ACACBLIPGLIPC
SCHEMBL28595539 0.80 LIPG (0.49) ACACBLIPGLIPC
SCHEMBL28601499 0.78 SYK (0.57) MCHR1
SCHEMBL28601501 0.78 SYK (0.57) MCHR1

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-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed