SCHEMBL8329274

SCHEMBL8329274

CCC(C(=O)N(C)C1CC1)c1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 2/20 0.40
KDM4A O75164 1/20 0.39
CCR5 P51681 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8330948 1.00 MTNR1A (0.45) MTNR1AMTNR1BCNR1CNR2KDM4E
SCHEMBL8331610 1.00 MTNR1A (0.45) MTNR1AMTNR1BCNR1CNR2KDM4E
SCHEMBL8333540 0.99 MTNR1A (0.46) MTNR1AMTNR1BCNR1CNR2KDM4E
SCHEMBL8332918 0.93 ALOX5 (0.44) KDM4EALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL8329453 0.89 CYSLTR2 (0.49) CNR1CNR2KDM4EALDH1A1LMNA
SCHEMBL8333855 0.89 CYSLTR2 (0.49) CNR1CNR2KDM4EALDH1A1LMNA
SCHEMBL8721505 0.85 KDM4E (0.46) KDM4EALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL8333977 0.82 ALDH1A1 (0.40) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8332766 0.81 BCHE (0.41) KDM4EALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL8331870 0.80 KDM4E (0.38) KDM4EALDH1A1LMNASMN1; SMN2CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed