Dapitant

Dapitant

SCHEMBL6437147

COc1ccccc1C(C)C(=O)N1C[C@@H]2[C@H](C1)C(c1ccccc1)(c1ccccc1)CC[C@@]2(O)c1ccccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 1.00
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRL1 P41146 3/20 0.39
CHRM4 P08173 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Dapitant SCHEMBL14071561 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL121135 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL7582571 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL13575759 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL30695498 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL6908668 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL7768046 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL8543936 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
SCHEMBL8543712 0.94 TACR1 (0.89) TACR1FNTAFNTBMEN1CYP3A4
SCHEMBL8956844 0.94 TACR1 (0.89) TACR1FNTAFNTBMEN1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed