SCHEMBL8936446

SCHEMBL8936446

CCc1ccccc1-c1c(NC(=O)NCc2ccccc2Cl)n(C)c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
PTGER3 P43115 1/20 0.41

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
SCHEMBL8936431 0.91 TACR1 (0.56) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8936514 0.90 TACR1 (0.59) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8936447 0.85 TACR1 (0.53) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8936556 0.84 TACR1 (0.53) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8936575 0.83 TACR1 (0.60) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8936522 0.82 TACR1 (0.73) TACR1ALDH1A1
SCHEMBL8936565 0.78 TACR1 (0.61) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8936460 0.78 TACR1 (0.76) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL8786193 0.74 TACR1 (0.74) TACR1NPC1KMT2AMEN1LMNA
SCHEMBL8936488 0.73 TACR1 (0.75) TACR1TP53

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
US-5523305-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed