SCHEMBL4595573

SCHEMBL4595573

CC1(C)C[C@@H]2CC(C)(CN2C(=O)c2ccc3[nH]c(CCc4nn[nH]n4)cc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
AVPR1A P37288 14/20 0.46
AVPR2 P30518 13/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HSD11B1 P28845 1/20 0.43

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
SCHEMBL1307830 0.81 ALDH1A1 (0.47) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL4595102 0.79 LMNA (0.44) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1307429 0.76 LMNA (0.57) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL2895944 0.76 ALDH1A1 (0.53) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL13668468 0.75 AVPR1A (0.49) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1308282 0.74 LMNA (0.61) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL1307924 0.74 LMNA (0.54) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3455659 0.73 LMNA (0.60) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL4206416 0.72 AVPR1A (0.59) LMNAAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3455832 0.72 HSD11B1 (0.56) LMNAAVPR1AAVPR2ALDH1A1MEN1

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
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP claimed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO claimed