SCHEMBL7684013

SCHEMBL7684013

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2cnccn2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 8/20 0.41
DHODH Q02127 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL7683286 0.91 DHODH (0.49) MAPTKMT2AMEN1LMNASIRT1
SCHEMBL7679575 0.89 MAPT (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7693228 0.88 MEN1 (0.48) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7681633 0.88 MEN1 (0.48) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7853413 0.88 MAPT (0.55) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7676864 0.87 MEN1 (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7676618 0.87 KMT2A (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7680379 0.86 MAPT (0.51) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7683312 0.86 MEN1 (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7677831 0.86 MEN1 (0.46) MAPTKMT2AMEN1LMNASMN1; 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-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed