SCHEMBL7295692

SCHEMBL7295692

O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 1.00
ALDH1A1 P00352 7/20 0.75
HSD17B10 Q99714 1/20 0.75
RAB9A P51151 1/20 0.73
HTR1A P08908 1/20 0.73
TSHR P16473 3/20 0.57
MAOB P27338 3/20 0.57
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL7305251 0.86 SIGMAR1 (0.76) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325717 0.86 SIGMAR1 (0.76) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325748 0.86 SIGMAR1 (0.76) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325670 0.86 SIGMAR1 (0.75) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL3246823 0.85 SIGMAR1 (0.73) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL3257338 0.85 ALDH1A1 (0.77) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL3253612 0.83 SIGMAR1 (0.71) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL7303032 0.83 SIGMAR1 (0.70) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL7304070 0.82 SIGMAR1 (0.70) SIGMAR1ALDH1A1HSD17B10RAB9AHTR1A
SCHEMBL12325719 0.82 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 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