SCHEMBL7303032

SCHEMBL7303032

O=c1c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)coc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.70
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 3/20 0.57
RAB9A P51151 1/20 0.56
HTR1A P08908 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
ALDH3A1 P30838 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7295692 0.83 SIGMAR1 (1.00) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL7305251 0.83 SIGMAR1 (0.76) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325748 0.78 SIGMAR1 (0.76) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325717 0.78 SIGMAR1 (0.76) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325670 0.78 SIGMAR1 (0.75) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL7300222 0.77 SIGMAR1 (0.70) SIGMAR1ALDH1A1HSD17B10RAB9AL3MBTL1
SCHEMBL108678 0.77 KDM4E (0.70) HSD17B10HTR1ATSHRUSP2KDM4E
SCHEMBL2316901 0.76 CYP2D6 (0.82) ALDH1A1HSD17B10HTR1ATSHRUSP2
SCHEMBL7304070 0.74 SIGMAR1 (0.70) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325719 0.74 SIGMAR1 (0.69) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A

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-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed