SCHEMBL9738986

SCHEMBL9738986

O=C1c2ccccc2C2(c3ccncc3)CCCN12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNQ2 O43526 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
USP2 O75604 1/20 0.35
CHRM5 P08912 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL9738647 0.85 HSD11B1 (0.43) RXFP1NPC1POLBHSD11B1MEN1
SCHEMBL9739008 0.83 SMN1; SMN2 (0.55) MEN1KMT2AHTTSMN1; SMN2CYP1A2
SCHEMBL9738615 0.83 CHRM5 (0.46) NPC1POLBMEN1KMT2AHTT
SCHEMBL9739497 0.83 MAPT (0.46) NPC1POLBMEN1KMT2AHTT
SCHEMBL9741164 0.83 CHRM5 (0.49) NPC1POLBHSD11B1MEN1KMT2A
SCHEMBL9738811 0.82 NPC1 (0.35) RXFP1NPC1POLBMEN1KMT2A
SCHEMBL9740223 0.80 CHRM5 (0.48) NPC1SMN1; SMN2CYP3A4TSHRCHRM5
SCHEMBL9738592 0.80 HSD11B1 (0.41) NPC1POLBHSD11B1MEN1KMT2A
SCHEMBL9742164 0.80 CHRM5 (0.47) NPC1POLBMEN1KMT2AHTT
SCHEMBL9740111 0.78 SLC6A2 (0.43) NPC1POLBMEN1KMT2AHTT

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
WO-1992016529-A1 NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed