SCHEMBL10689206

SCHEMBL10689206

CNC(C)c1ccc(OC)c2c1CCCN2C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29187823 0.79 NOTUM (0.47) NOTUMCYP2D6TP53LMNAMEN1
SCHEMBL10689213 0.75 NOTUM (0.39) NOTUMTP53LMNAMEN1KMT2A
SCHEMBL10689216 0.75 HTR2A (0.39) NOTUM
SCHEMBL10689221 0.73 NOTUM (0.41) NOTUMCYP2D6TP53LMNAMEN1
N-Benzylmethylamine SCHEMBL10694644 0.70 ALDH1A1 (0.37) NOTUMTP53LMNAMEN1KMT2A
SCHEMBL30826397 0.66 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1
SCHEMBL29187830 0.66 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1
SCHEMBL30573244 0.66 NOTUM (0.53) NOTUMCYP2D6TP53LMNAMEN1
SCHEMBL718605 0.66 NOTUM (0.53) NOTUMCYP2D6TP53LMNAMEN1
SCHEMBL10694640 0.65 ALDH1A1 (0.44) CYP2D6TP53LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792559-A 1,2,3,4-tetrahydroquinoline substituted 5-aminopentanenitrile compounds and their use as calcium modulators ADIR ET COMPAGNIE (FR) 1988-12-20 — — US disclosed
Send feedback