SCHEMBL7469438

SCHEMBL7469438

O=C(NCCc1ccccc1)C(CO)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TACR1 P25103 6/20 0.48
NMBR P28336 1/20 0.44

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
SCHEMBL7469433 0.83 TACR1 (0.69) TACR1
SCHEMBL7847648 0.81 CCKBR (0.53) CCKBRMEN1NPC1POLBMAPT
SCHEMBL7529398 0.78 TACR1 (0.61) CCKBRMEN1NPC1POLBMAPT
SCHEMBL7529387 0.78 TACR1 (0.61) CCKBRMEN1NPC1POLBMAPT
Hydrochloric Acid SCHEMBL7569286 0.78 TACR1 (0.60) CCKBRMEN1NPC1POLBMAPT
Hydrochloric Acid SCHEMBL7569288 0.78 TACR1 (0.60) CCKBRMEN1NPC1POLBMAPT
SCHEMBL7438201 0.78 TACR1 (0.73) CCKBRTACR1
SCHEMBL7846982 0.77 BRS3 (0.60) MEN1NPC1POLBMAPTRAB9A
SCHEMBL7523633 0.75 TACR1 (0.68) TACR1
SCHEMBL7061471 0.75 TACR1 (0.53) CCKBRMEN1NPC1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244653-A1 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2002-10-02 EP disclosed
WO-2001046176-A2 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-06-28 WO disclosed