SCHEMBL6440070

SCHEMBL6440070

NC1(O)CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1B1 P15121 1/20 0.44
MAOB P27338 1/20 0.43
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MTOR P42345 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL30664080 0.88 KDM1A (0.50) KDM1AMAOBTSHRHTR2AMAPK1
SCHEMBL594461 0.88 KDM1A (0.50) KDM1AMAOBTSHRHTR2AMAPK1
SCHEMBL30316454 0.88 KDM1A (0.50) KDM1AMAOBTSHRHTR2AMAPK1
SCHEMBL2147836 0.88 KDM1A (0.50) KDM1AMAOBTSHRHTR2AMAPK1
SCHEMBL29529186 0.88 KDM1A (0.50) KDM1AMAOBTSHRHTR2AMAPK1
SCHEMBL788818 0.88 KDM1A (0.50) KDM1AMAOBTSHRHTR2AMAPK1
SCHEMBL7395445 0.86 KDM1A (0.48) KDM1AMAOBTSHRHTR2AMAPK1
Acetone SCHEMBL3363093 0.79 KDM1A (0.44) KDM1AMAOBTSHRMAPK1SIGMAR1
SCHEMBL4195493 0.79 KDM1A (0.50) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL31629514 0.79 KDM1A (0.50) KDM1AMEN1KMT2AAKR1B1MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005117930-A METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOINDANOLS AND AMINOTETRALINOLS NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY 2005-05-12 JP disclosed
JP-2000256255-A OPTICAL RESOLUTION OF (±)-TRANS-PERMETHRINIC ACID KURARAY CO LTD 2000-09-19 JP disclosed
EP-0109815-B1 IMPROVEMENTS IN AND RELATING TO SUBSTITUTED TETRAHYDRONA PHTHALENES ELI LILLY AND COMPANY (US) 1986-05-28 EP disclosed
US-4500545-A HYPOTENSIVE, ANTISECRETORY AGENTS, AND DOPAMINE ANTAGONIST ELI LILLY AND COMPANY (US) 1985-02-19 US disclosed
EP-0109815-A1 Improvements in and relating to substituted tetrahydrona phthalenes ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4448990-A Hydroxyaminotetralincarboxamides ELI LILLY AND COMPANY (US) 1984-05-15 US disclosed