SCHEMBL9978781

SCHEMBL9978781

CC(C)(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
HRH1 P35367 4/20 0.47
LMNA P02545 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
SCN1A P35498 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SLC6A2 P23975 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SLC6A4 P31645 3/20 0.42
SIGMAR1 Q99720 2/20 0.41
SLC18A3 Q16572 1/20 0.41
HTR1A P08908 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL5651523 0.84 SLC6A2 (0.50) GBA1HRH1LMNACYP2D6MEN1
SCHEMBL11861949 0.83 HRH1 (0.53) GBA1HRH1LMNACYP2D6MEN1
Hydrochloric Acid SCHEMBL11843236 0.81 HRH1 (0.51) GBA1HRH1LMNACYP2D6MEN1
SCHEMBL14701445 0.79 SLC6A4 (0.54) MEN1KMT2ASLC6A2TAAR1SLC6A4
SCHEMBL9432081 0.79 SLC6A2 (0.42) LMNACYP2D6KMT2ASLC6A2TAAR1
SCHEMBL28021430 0.79 HRH1 (0.56) GBA1HRH1LMNACYP2D6MEN1
SCHEMBL5650003 0.77 GBA1 (0.45) GBA1HRH1LMNACYP2D6MEN1
SCHEMBL7488409 0.76 GBA1 (0.56) GBA1HRH1LMNACYP2D6SLC6A2
SCHEMBL27643138 0.75 LMNA (0.49) GBA1HRH1LMNACYP2D6SLC6A2
SCHEMBL5649395 0.75 GBA1 (0.46) GBA1HRH1LMNACYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627650-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck Sharp & Dohme Corp. (US) 2013-08-21 EP disclosed
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 WO disclosed
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN disclosed
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 CN disclosed