SCHEMBL10967640

SCHEMBL10967640

Cc1ccc(C(C#N)=C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
HRH1 P35367 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MC4R P32245 1/20 0.42

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
SCHEMBL5553255 0.90 KMT2A (0.54) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL5395547 0.87 ALDH1A1 (0.56) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL546987 0.87 MEN1 (0.49) KMT2AMEN1SIGMAR1
SCHEMBL13962938 0.84 MEN1 (0.56) LMNAPOLBKMT2AMEN1ALDH1A1
SCHEMBL13962943 0.81 MEN1 (0.46) LMNAPOLBKMT2AMEN1ALDH1A1
SCHEMBL13962874 0.80 SIGMAR1 (0.54) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL13962841 0.79 CHRM2 (0.51) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL13962854 0.77 MEN1 (0.55) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL10967944 0.75 HTT (0.54) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2079886 0.75 CHRNB2 (0.42) LMNAKMT2AMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037265-B1 3-(1-PIPERIDINYLALKYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-01-23 EP disclosed
US-4342870-A SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1982-08-03 US disclosed
EP-0037265-A1 3-(1-piperidinylalkyl)-4H-pyrido(1,2-a)pyrimidin-4-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-07 EP disclosed