SCHEMBL11544280

SCHEMBL11544280

O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Nc3cc(Cl)nc4ccccc34)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.60
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
FAAH O00519 2/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
MGLL Q99685 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IGF1R P08069 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL11546873 0.89 MAPT (0.59) TRPV1NPC1RAB9AFAAHMAPT
SCHEMBL11545237 0.85 TRPV1 (0.52) TRPV1NPC1RAB9AFAAHMAPT
SCHEMBL11544277 0.81 MAPKAPK2 (0.56) TRPV1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11541220 0.79 USP2 (0.53) TRPV1FAAHMAPTSMN1; SMN2TSHR
SCHEMBL11546870 0.78 KDM4E (0.56) TRPV1NPC1RAB9AMAPTKDM4E
SCHEMBL11542583 0.78 MAPT (0.42) NPC1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL11545449 0.76 TRPV1 (0.52) TRPV1FAAHMAPTSMN1; SMN2ALDH1A1
SCHEMBL11542846 0.75 MEN1 (0.48) NPC1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL11730686 0.73 MAPKAPK2 (0.52) NPC1MAPTKDM4ETSHRALDH1A1
SCHEMBL28273734 0.73 MEN1 (0.88) NPC1RAB9AFAAHMAPTSMN1; 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-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed