SCHEMBL14615541

SCHEMBL14615541

O=C(NCCc1ccc2ccccc2c1)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A2 P23975 7/20 0.51
SLC6A3 Q01959 6/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
HTR4 Q13639 1/20 0.49
MTNR1A P48039 4/20 0.47
MTNR1B P49286 3/20 0.46
CES2 O00748 1/20 0.46

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
SCHEMBL9130436 0.92 MTNR1A (0.54) MTNR1AMTNR1BCES2
SCHEMBL8097845 0.89 MTNR1A (0.56) ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL9131926 0.89 MTNR1A (0.56) ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL31176222 0.89 MTNR1A (0.56) ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL4034002 0.85 CYP2C19 (0.60) ALDH1A1SMN1; SMN2
SCHEMBL14527656 0.84 PLG (0.53)
SCHEMBL14615565 0.84 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL22178785 0.84 MC4R (0.63) SLC6A4SLC6A2SLC6A3ALDH1A1CES2
SCHEMBL22178784 0.84 MC4R (0.63) SLC6A4SLC6A2SLC6A3ALDH1A1CES2
SCHEMBL22160722 0.84 MC4R (0.63) SLC6A4SLC6A2SLC6A3ALDH1A1CES2

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
WO-2007014258-A2 GROWTH HORMONE SECRETAGOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2007-02-01 WO disclosed