SCHEMBL8351933

SCHEMBL8351933

NCC(NCCc1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 2/20 0.41
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
GRK2 P25098 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1872028 0.92 TAAR1 (0.47) CNR1TAAR1HTR2ALMNAADRB2
SCHEMBL27748462 0.82 SMN1; SMN2 (0.50) CNR1TAAR1KMT2AMAPTATM
SCHEMBL2520853 0.78 CNR1 (0.44) CNR1HTR2APOLBKMT2AMAPT
SCHEMBL2883745 0.73 SMN1; SMN2 (0.56) TAAR1MAPTMAOBLMNAADRB2
SCHEMBL2883748 0.73 SMN1; SMN2 (0.56) TAAR1MAPTMAOBLMNAADRB2
SCHEMBL5049798 0.73 SIGMAR1 (0.49) TAAR1HTR2AKMT2AIDO1MAPT
SCHEMBL11625405 0.72 LMNA (0.42) CNR1TAAR1HTR2APOLBKMT2A
SCHEMBL8351927 0.71 TAAR1 (0.78) CNR1TAAR1HTR2AKMT2AL3MBTL1
SCHEMBL27220938 0.71 CHRNB2 (0.49) TAAR1HTR2AKMT2AIDO1ATM
SCHEMBL18550393 0.71 TAAR1 (0.54) CNR1TAAR1HTR2APOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999031506-A9 PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS LILLY CO ELI (US) 1999-09-16 WO disclosed
WO-1999031507-A1 PEPTIDOMIMETIC TEMPLATE-BASED COMBINATORIAL LIBRARIES ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed
WO-1999031506-A1 PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed