SCHEMBL9213124

SCHEMBL9213124

CCOC(=O)C(C)(C#N)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
OPRM1 P35372 3/20 0.49
SIGMAR1 Q99720 1/20 0.49
ACHE P22303 3/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
CHRM3 P20309 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CCR8 P51685 1/20 0.47
BCHE P06276 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HRH1 P35367 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CHRM2 P08172 1/20 0.45

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
Hydrochloric Acid SCHEMBL9217805 0.99 MEN1 (0.51) MEN1KMT2AOPRM1SIGMAR1ACHE
SCHEMBL27618798 0.86 SIGMAR1 (0.51) MEN1KMT2AOPRM1SIGMAR1ACHE
SCHEMBL6749692 0.84 OPRM1 (0.54) OPRM1SIGMAR1ACHEABL1RIN1
Hydrochloric Acid SCHEMBL7684853 0.81 OPRM1 (0.50) OPRM1SIGMAR1ACHEABL1RIN1
SCHEMBL6745787 0.78 CHRM3 (0.56) OPRM1ACHECHRM3BCHE
SCHEMBL29072067 0.77 SMN1; SMN2 (0.46) MEN1KMT2A
SCHEMBL18458295 0.75 SIGMAR1 (0.56) MEN1KMT2AOPRM1SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7107750 0.75 ABL1 (0.51) OPRM1SIGMAR1ACHEABL1RIN1
SCHEMBL9220507 0.75 MEN1 (0.55) MEN1KMT2AOPRM1SIGMAR1ACHE
SCHEMBL27053340 0.74 MEN1 (0.41) MEN1KMT2ACHRM3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed