SCHEMBL20870801

SCHEMBL20870801

CCCCCCN(Cc1ccc(OC)cc1)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
APAF1 O14727 1/20 0.50
NR1I2 O75469 1/20 0.50
HSP90AA1 P07900 1/20 0.50
IDE P14735 1/20 0.50
UBE2N P61088 1/20 0.50
CNR2 P34972 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.44
CETP P11597 2/20 0.43
MAPT P10636 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
STAT3 P40763 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL20871418 1.00 MTNR1A (0.51) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL20870836 1.00 MTNR1A (0.51) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL22340880 1.00 MTNR1A (0.51) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL20871135 0.99 MTNR1A (0.52) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL20871034 0.95 MTNR1A (0.53) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL22340862 0.89 MTNR1A (0.55) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL31746156 0.87 MTNR1A (0.63) MTNR1AMTNR1BEPHX2
SCHEMBL22340698 0.87 CNR2 (0.49) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL20871434 0.87 CNR2 (0.49) MTNR1AMTNR1BUSP2LMNACYP1A2
SCHEMBL29334921 0.87 CNR2 (0.49) MTNR1AMTNR1BUSP2LMNACYP1A2

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
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
WO-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 WO disclosed