SCHEMBL9729638

SCHEMBL9729638

O=C1CCC(c2cccc(F)c2)(c2cccc(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
CYP2C9 P11712 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM1A O60341 2/20 0.44
HSD11B1 P28845 3/20 0.42
HSD11B2 P80365 1/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL31067218 0.82 MEN1 (0.43) MEN1CYP2C9KMT2AKDM1AHSD11B1
Hydrochloric Acid SCHEMBL5766458 0.81 KDM1A (0.45) MEN1CYP2C9KMT2AKDM1ASLC6A4
SCHEMBL11702985 0.80 PDE4A (0.43) MEN1CYP2C9KMT2AKDM1AHSD11B1
SCHEMBL517439 0.80 OPRL1 (0.50) KDM1ASLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL8767025 0.79 SLC6A4 (0.56) KDM1AHSD11B1HSD11B2SLC6A4SLC6A3
SCHEMBL5768673 0.78 AKR1C1 (0.46) MEN1CYP2C9KMT2AKDM1AHSD11B1
SCHEMBL22423724 0.78 PDE4A (0.44) MEN1CYP2C9KMT2AKDM1AHSD11B1
SCHEMBL1556970 0.78 ALDH1A1 (0.45) MEN1CYP2C9KMT2AKDM1ASLC6A4
SCHEMBL9729268 0.78 MEN1 (0.60) MEN1CYP2C9KMT2AHSD11B1SLC6A4
SCHEMBL9729492 0.78 MEN1 (0.60) MEN1CYP2C9KMT2AHSD11B1HSD11B2

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-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed