SCHEMBL11805576

SCHEMBL11805576

CCCC1(CCC)CNc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
BRD4 O60885 2/20 0.34
POLB P06746 1/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
GAA P10253 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ATM Q13315 1/20 0.30
PDE7A Q13946 1/20 0.30
CREBBP Q92793 1/20 0.30
BACE1 P56817 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL13849307 0.92 KDM1A (0.33) KDM1ABRD4MAOAMAOB
SCHEMBL6882141 0.85 POLB (0.37) KDM1ABRD4POLBPDK2PDK4
SCHEMBL13788693 0.78 SLC6A2 (0.35) KDM1ABRD4POLBGAAOPRM1
SCHEMBL13788728 0.77 LMNA (0.36) KDM1ABRD4POLBOPRM1ADRA2A
SCHEMBL29384370 0.74 PDK2 (0.42) KDM1ABRD4POLBPDK2PDK4
SCHEMBL1031209 0.74 PDK2 (0.42) KDM1ABRD4POLBPDK2PDK4
SCHEMBL8524367 0.73 KDM1A (0.33) KDM1ABRD4OPRM1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL2482151 0.72 PDK2 (0.41) KDM1ABRD4POLBPDK2PDK4
SCHEMBL7534912 0.71 OPRM1 (0.36) BRD4GAAOPRM1OPRL1ATM
SCHEMBL11645508 0.70 UTS2R (0.34) OPRM1ADRA2AADRA2BADRA2C

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-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed
US-3935199-A ANALEPTIC MEAD JOHNSON & COMPANY (US) 1976-01-27 US disclosed