SCHEMBL8174677

SCHEMBL8174677

N=C(N)NCCC(O[C]=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 3/20 0.38
EPHX2 P34913 1/20 0.38
CASR P41180 5/20 0.38
SLC6A4 P31645 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8560464 0.92 C3AR1 (0.39) TPSAB1MTNR1AMTNR1BCNR1CNR2
SCHEMBL8557692 0.91 C3AR1 (0.36) TPSAB1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL9030495 0.74 F2 (0.53) TPSAB1
SCHEMBL8169663 0.74 LMNA (0.37) CNR1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL2580473 0.73 BCAT2 (0.50) TPSAB1MTNR1AMTNR1BCNR1CNR2
SCHEMBL27287611 0.73 MTNR1A (0.46) TPSAB1MTNR1AMTNR1BCNR1CNR2
SCHEMBL1432767 0.72 AOC3 (0.39) SLC6A4CYP1A2CYP2D6SLC6A2MEN1
SCHEMBL8170960 0.71 ALDH1A1 (0.38) CYP1A2CYP2D6TSHRKMT2APKM
SCHEMBL8162689 0.69 HSD17B10 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL6003373 0.69 POLB (0.42) CNR2CASRSLC6A4CYP3A4SMN1; SMN2

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-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed