SCHEMBL7331815

SCHEMBL7331815

O=c1c(CN2CCN(c3ccc4ccccc4c3)CC2)coc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
ALDH1A1 P00352 8/20 0.61
TSHR P16473 3/20 0.60
HTR1A P08908 1/20 0.54
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.50
USP2 O75604 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.47
HTR7 P34969 1/20 0.47
MAOB P27338 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
GPR6 P46095 1/20 0.43
HTR3A P46098 1/20 0.43
TNF P01375 1/20 0.42

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
SCHEMBL12325748 0.78 SIGMAR1 (0.76) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL7295692 0.78 SIGMAR1 (1.00) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL12325717 0.78 SIGMAR1 (0.76) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL12325670 0.78 SIGMAR1 (0.75) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL8946200 0.76 SIGMAR1 (0.65) SIGMAR1ALDH1A1TSHRHTR1AMAPT
SCHEMBL1387431 0.75 ALDH1A1 (0.62) SIGMAR1ALDH1A1TSHRHTR1AMAPT
SCHEMBL7304070 0.74 SIGMAR1 (0.70) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL12325719 0.74 SIGMAR1 (0.69) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL7305251 0.74 SIGMAR1 (0.76) SIGMAR1ALDH1A1TSHRHTR1AHSD17B10
SCHEMBL1387341 0.73 MAPT (0.57) ALDH1A1TSHRHSD17B10MAPTUSP2

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-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US disclosed
EP-0580503-B1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR (FR) 1995-06-14 EP disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed