SCHEMBL7399602

SCHEMBL7399602

O=C(O)C1CCCC(Oc2ccc(N3CCN(c4ccccn4)CC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.48
FFAR1 O14842 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
GRM1 Q13255 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
RIPK1 Q13546 1/20 0.41
KCNH2 Q12809 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
SCHEMBL7399368 0.85 FFAR4 (0.46) FFAR4HRH3ALDH1A1
SCHEMBL7402721 0.78 FFAR1 (0.55) FFAR4FFAR1HRH3KDM4EALDH1A1
SCHEMBL7398640 0.77 GPR119 (0.45) FFAR4FFAR1HRH3GRM1KDM4E
SCHEMBL10188580 0.76 FFAR4 (0.52) FFAR4
SCHEMBL7399544 0.73 ALDH1A1 (0.46) HRH3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7403804 0.73 FFAR1 (0.44) FFAR4FFAR1KDM4EALDH1A1HSD17B10
SCHEMBL7403806 0.73 GPR119 (0.46) FFAR4FFAR1HRH3KDM4EALDH1A1
SCHEMBL2274636 0.73 KDM4E (0.66) KDM4EALDH1A1HSD17B10GPR119MAPK1
SCHEMBL3778359 0.72 HRH3 (0.50) FFAR4FFAR1HRH3KDM4EALDH1A1
SCHEMBL20004100 0.71 FFAR1 (0.51) FFAR1HRH3KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed