SCHEMBL15939458

SCHEMBL15939458

Nc1ccccc1CCNC(=O)NCCc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
EPHX1 P07099 1/20 0.49
CNR1 P21554 4/20 0.46
MTNR1B P49286 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4598193 0.87 MTNR1A (0.46) MTNR1AEPHX1CNR1MTNR1BNPC1
SCHEMBL3072431 0.85 MTNR1A (0.61) MTNR1AMTNR1BKDM4EMEN1KMT2A
SCHEMBL5913061 0.81 MTNR1A (0.49) MTNR1ACNR1MTNR1BALDH1A1MEN1
SCHEMBL15939820 0.80 NPC1 (0.60) EPHX1NPC1RAB9AKDM4EALDH1A1
SCHEMBL19031451 0.78 ALDH1A1 (0.40) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL31250995 0.77 NQO2 (0.56) HPGDMEN1KMT2A
SCHEMBL1231492 0.77 NQO2 (0.56) HPGDMEN1KMT2A
SCHEMBL21848124 0.76 LMNA (0.60) MAPTMEN1KMT2A
SCHEMBL13884564 0.75 CYP3A4 (0.52) MTNR1ANPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL25337399 0.75 CYP2D6 (0.44) EPHX1NPC1RAB9AEPHX2KDM4E

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-20140226116-A1 LIQUID CRYSTAL DISPLAY AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2014-08-14 US disclosed