SCHEMBL6589688

SCHEMBL6589688

CC(=O)CCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.72
HTR1A P08908 2/20 0.57
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
KCNA3 P22001 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL3314420 0.88 SIGMAR1 (0.76) SIGMAR1HTR1AS1PR1S1PR3KCNA3
SCHEMBL9531074 0.86 SIGMAR1 (0.74) SIGMAR1HTR1A
SCHEMBL10974420 0.83 PPARG (0.55) SIGMAR1KCNA3MEN1KMT2AKDM4E
SCHEMBL10231292 0.82 SIGMAR1 (0.68) SIGMAR1HTR1AS1PR1S1PR3MEN1
Hydrochloric Acid SCHEMBL10734491 0.82 PPARG (0.54) SIGMAR1KCNA3MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8970558 0.81 SIGMAR1 (0.87) SIGMAR1
SCHEMBL29363627 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL29710461 0.79 SIGMAR1 (0.85) SIGMAR1HTR1A
SCHEMBL4485693 0.79 DRD2 (0.54) SIGMAR1HTR1AKCNA3KDM4EMAPT
SCHEMBL27801629 0.78 KDM4E (0.56) SIGMAR1HTR1AMEN1KMT2AKDM4E

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
EP-1458688-A1 QUINAZOLINONE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-22 EP disclosed
WO-2003055865-A1 QUINAZOLINONE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-10 WO disclosed