SCHEMBL7846982

SCHEMBL7846982

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 10/20 0.60
NMBR P28336 5/20 0.56
KCNT1 Q5JUK3 1/20 0.54
TACR1 P25103 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7848664 0.83 MC5R (0.61) KCNT1TACR1KMT2AMEN1NPC1
SCHEMBL7062961 0.82 TACR1 (0.76) TACR1KMT2AMEN1
SCHEMBL7064065 0.79 TACR1 (0.68) TACR1MAPTSMN1; SMN2
SCHEMBL7067777 0.78 TACR1 (0.67) TACR1
SCHEMBL7062825 0.78 TACR1 (0.74) TACR1KMT2AMEN1
SCHEMBL27763689 0.77 BRS3 (0.85) BRS3NMBRKMT2A
SCHEMBL7469438 0.77 CCKBR (0.49) NMBRTACR1KMT2AMEN1NPC1
SCHEMBL1274233 0.76 BRS3 (0.74) BRS3NMBRKMT2A
SCHEMBL7253751 0.76 BRS3 (0.72) BRS3NMBRKMT2A
SCHEMBL1273642 0.76 BRS3 (0.72) BRS3NMBRKMT2A

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-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed