SCHEMBL9774872

SCHEMBL9774872

CN(c1nc2ccccc2o1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 3/20 0.40
NMT1 P30419 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
CHEK2 O96017 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HCRTR1 O43613 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3655285 0.92 CHEK2 (0.46) CXCR3PTGDR2MAPTBCHEACHE
SCHEMBL3655289 0.92 CHEK2 (0.46) CXCR3PTGDR2MAPTBCHEACHE
SCHEMBL5247027 0.82 CXCR3 (0.56) CXCR3PTGDR2MAPTNMT1NPC1
SCHEMBL5243748 0.75 CXCR3 (0.48) CXCR3PTGDR2MAPTNPC1RAB9A
SCHEMBL16538538 0.73 SLC6A2 (0.41) CXCR3
SCHEMBL11330961 0.72 MAPT (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7846264 0.71 ELANE (0.41) MAPTBCHEACHENPC1RAB9A
Bromide SCHEMBL9774717 0.71 CXCR3 (0.49) CXCR3PTGDR2MAPTNPC1RAB9A
SCHEMBL9774747 0.71 CXCR3 (0.54) CXCR3PTGDR2
SCHEMBL373400 0.71 MPO (0.54) MAPTBCHEACHENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US claimed
CN-1014790-B PROCESS FOR PREPARING NOVEL BENZOXAZOL-AND BENZOTHIAZOLAMINE DERIVATIVES AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 1991-11-20 CN disclosed
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
CN-85108556-A The preparation method of novel benzoxazol base and benzothiazolyl amino derivative and application thereof 1986-07-30 CN disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed