SCHEMBL10689213

SCHEMBL10689213

CNCCc1ccc(OC)c2c1CCCN2C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTR2A P28223 1/20 0.34

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
N-Benzylmethylamine SCHEMBL10694644 0.81 ALDH1A1 (0.37) NOTUMPOLBTP53MEN1KMT2A
SCHEMBL10689216 0.79 HTR2A (0.39) NOTUMHTR2A
SCHEMBL29187823 0.79 NOTUM (0.47) NOTUMPOLBTP53MEN1KMT2A
SCHEMBL10694640 0.77 ALDH1A1 (0.44) POLBTP53MEN1KMT2ALMNA
SCHEMBL10509662 0.76 ADRA1D (0.51) MEN1KMT2AALDH1A1HTR2A
SCHEMBL10689206 0.75 NOTUM (0.40) NOTUMPOLBTP53MEN1KMT2A
SCHEMBL10507943 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL10689221 0.72 NOTUM (0.41) NOTUMPOLBTP53MEN1KMT2A
SCHEMBL10837950 0.71 ADRA1D (0.47) —
SCHEMBL10507820 0.69 ADRA1D (0.45) ALDH1A1HTR2A

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
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