SCHEMBL8316039

SCHEMBL8316039

CSc1ccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CHRM4 P08173 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOS2 P35228 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM1A O60341 2/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 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
SCHEMBL7556949 0.88 CHRM4 (0.61) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL9531918 0.85 L3MBTL1 (0.54) SMN1; SMN2CHRM4NPC1RAB9ADRD2
SCHEMBL8315425 0.85 OPRD1 (0.54) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL15379133 0.84 NOS2 (0.54) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8696969 0.84 RORC (0.58) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL16936275 0.84 CCR1 (0.64) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL19458995 0.84 ACE2 (0.56) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL751049 0.83 OPRD1 (0.53) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL7676544 0.82 NOS2 (0.49) CCR1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8313841 0.82 CCR1 (0.54) CCR1SMN1; SMN2MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP claimed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 EP disclosed