SCHEMBL29407152

SCHEMBL29407152

COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCCCC2)CC1)C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL6299830 1.00 TACR1 (1.00) TACR1
SCHEMBL6760488 1.00 TACR1 (1.00) TACR1
Lanepitant SCHEMBL30695554 0.94 TACR1 (1.00) TACR1
Lanepitant SCHEMBL121512 0.94 TACR1 (1.00) TACR1
Lanepitant SCHEMBL30522773 0.94 TACR1 (1.00) TACR1
Lanepitant SCHEMBL6904907 0.94 TACR1 (1.00) TACR1
Lanepitant SCHEMBL14421491 0.94 TACR1 (1.00) TACR1
Lanepitant SCHEMBL7823239 0.94 TACR1 (0.99) TACR1
Lanepitant SCHEMBL9079078 0.94 TACR1 (0.99) TACR1
Lanepitant SCHEMBL7833331 0.93 TACR1 (0.97) TACR1

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-114206849-A Therapeutic methods for treating non-infectious ocular immunoinflammatory disorders 斯格本斯眼科研究所有限公司 2022-03-18 CN disclosed