SCHEMBL9130436

SCHEMBL9130436

O=C(NCCc1ccc2ccccc2c1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.54
MTNR1B P49286 6/20 0.53
CES2 O00748 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL9131926 0.94 MTNR1A (0.56) MTNR1AMTNR1BMEN1POLBKMT2A
SCHEMBL31176222 0.94 MTNR1A (0.56) MTNR1AMTNR1BMEN1POLBKMT2A
SCHEMBL8097845 0.94 MTNR1A (0.56) MTNR1AMTNR1BMEN1POLBKMT2A
SCHEMBL14615541 0.92 SLC6A4 (0.51) MTNR1AMTNR1BCES2
SCHEMBL9491275 0.84 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL22160722 0.83 MC4R (0.63) CES2POLBCYP2C19
SCHEMBL22178785 0.83 MC4R (0.63) CES2POLBCYP2C19
SCHEMBL22178784 0.83 MC4R (0.63) CES2POLBCYP2C19
SCHEMBL23417495 0.81 CYP2C19 (0.68) MEN1POLBKMT2ACYP2C19TSHR
SCHEMBL7439966 0.80 CES2 (0.52) MTNR1AMTNR1BCES2POLB

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-5420158-A Melatonin activity ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed