SCHEMBL17339934

SCHEMBL17339934

Cc1nn(C)c(C)c1CN1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 8/20 0.41
GNRHR P30968 1/20 0.41
MC4R P32245 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ARG1 P05089 1/20 0.38
SLC34A1 Q06495 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL12424513 0.81 ACHE (0.41) GNRHRATML3MBTL1ARG1ALDH1A1
SCHEMBL17967839 0.80 ARG1 (0.40) NMT1GNRHRATML3MBTL1ARG1
SCHEMBL22458899 0.78 GNRHR (0.38) NMT1GNRHRATML3MBTL1ARG1
SCHEMBL12384819 0.77 GNRHR (0.37) NMT1GNRHRATML3MBTL1ARG1
SCHEMBL22434943 0.76 ARG1 (0.43) GNRHRATML3MBTL1ARG1SLC34A1
SCHEMBL16200403 0.75 MC4R (0.41) NMT1MC4RALDH1A1KMT2ASMN1; SMN2
SCHEMBL3318967 0.74 GNRHR (0.40) GNRHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10030552 0.73 GAA (0.56) MC4RALDH1A1KMT2ALMNA
SCHEMBL22458898 0.73 ARG1 (0.40) GNRHRATML3MBTL1ARG1ALDH1A1
SCHEMBL2001193 0.70 SMO (0.65) SLC34A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed