Lanepitant

Lanepitant

SCHEMBL8748971

COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O.O=C(O)C(=O)O

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Lanepitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.96

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
Lanepitant SCHEMBL30522773 0.98 TACR1 (1.00) TACR1
Lanepitant SCHEMBL6904907 0.98 TACR1 (1.00) TACR1
Lanepitant SCHEMBL121512 0.98 TACR1 (1.00) TACR1
Lanepitant SCHEMBL30695554 0.98 TACR1 (1.00) TACR1
Lanepitant SCHEMBL14421491 0.98 TACR1 (1.00) TACR1
Lanepitant SCHEMBL9079078 0.97 TACR1 (0.99) TACR1
Lanepitant SCHEMBL7823239 0.97 TACR1 (0.99) TACR1
Lanepitant SCHEMBL7833331 0.97 TACR1 (0.97) TACR1
SCHEMBL29407152 0.92 TACR1 (1.00) TACR1
SCHEMBL6760488 0.92 TACR1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997023455-A1 PROCESSES FOR PREPARING NON-PEPTIDYL TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-03 WO disclosed
EP-0761219-A1 2-Acylaminopropanamines as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed