SCHEMBL21078296

SCHEMBL21078296

C=C(C)C1CCN2CCCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
CHRM2 P08172 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM4 P08173 4/20 0.36
CHRM3 P20309 4/20 0.36
HTR6 P50406 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL27423166 0.79 CHRM1 (0.38) RAB9ACHRM2CHRM1CHRM4CHRM3
SCHEMBL27400861 0.77 CHRM2 (0.40) RAB9ACHRM2CHRM1CHRM4CHRM3
SCHEMBL29588116 0.76 ALDH1A1 (0.41) HTR6L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL205363 0.76 L3MBTL3 (0.39) CHRM2CHRM1CHRM4CHRM3HTR6
Hydrochloric Acid SCHEMBL3953750 0.74 ALDH1A1 (0.44) HTR6L3MBTL3L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4139677 0.74 ALDH1A1 (0.44) HTR6L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL21548010 0.72 CHRM2 (0.42) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL29316595 0.70 HTR6 (0.49) RAB9ACHRM2CHRM1CHRM3HTR6
SCHEMBL10888360 0.70 HTR6 (0.50) HTR6L3MBTL3L3MBTL1LMNACYP2D6
SCHEMBL10863631 0.70 HTR6 (0.42) HTR6LMNACYP2D6MEN1KMT2A

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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed