SCHEMBL26336565

SCHEMBL26336565

CC(=O)N(C)C1(c2ccccc2)CCN(CCCC2CCCN(C(=O)c3ccccc3)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.61
TACR2 P21452 5/20 0.61
TACR1 P25103 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 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
SCHEMBL24855510 0.84 POLB (0.46) TACR3TACR2TACR1CYP3A4CYP2D6
SCHEMBL26336625 0.84 TACR2 (0.53) TACR3TACR2TACR1CYP3A4CYP2D6
SCHEMBL7750574 0.78 TACR2 (0.83) TACR3TACR2TACR1CYP3A4CYP2D6
SCHEMBL24855499 0.77 CCR5 (0.54) L3MBTL1ALDH1A1KMT2ALMNADRD2
Osanetant SCHEMBL29371450 0.76 TACR2 (1.00) TACR3TACR2TACR1CYP3A4CYP2D6
Osanetant SCHEMBL119440 0.76 TACR2 (1.00) TACR3TACR2TACR1CYP3A4CYP2D6
Osanetant SCHEMBL30961738 0.76 TACR2 (1.00) TACR3TACR2TACR1CYP3A4CYP2D6
Osanetant SCHEMBL5679271 0.76 TACR2 (1.00) TACR3TACR2TACR1CYP3A4CYP2D6
Osanetant SCHEMBL4080131 0.76 TACR2 (1.00) TACR3TACR2TACR1CYP3A4CYP2D6
Osanetant SCHEMBL6543149 0.75 TACR2 (0.98) TACR3TACR2TACR1CYP3A4CYP2D6

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
EP-3271015-B1 NK-3 RECEPTOR ANTAGONISTS FOR THERAPEUTIC OR COSMETIC TREATMENT OF EXCESS BODY FAT OGEDA S A (BE) 2023-09-27 EP disclosed