SCHEMBL4650919

SCHEMBL4650919

C[C](c1cc(C)n(C)n1)c1cc(C)nn1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.33
NR2E1 Q9Y466 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
PDE2A O00408 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL147208 0.73
SCHEMBL11982018 0.71 SMN1; SMN2 (0.39) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL334463 0.71 SMN1; SMN2 (0.47) BAZ2BGAAKDM4ESMN1; SMN2KMT2A
SCHEMBL17051152 0.71 BAZ2B (0.53) BAZ2BGAAKDM4EBCHERAB9A
SCHEMBL357627 0.71 BAZ2B (0.63) BAZ2BGAAKDM4EBCHESMN1; SMN2
SCHEMBL8574212 0.70 BAZ2B (0.58) BAZ2BGAAKDM4EBCHERAB9A
SCHEMBL4787403 0.70 BAZ2B (0.45) BAZ2BGAAKDM4ESMN1; SMN2RAB9A
SCHEMBL27787704 0.69 BAZ2B (0.66) BAZ2BGAAKDM4EBCHESMN1; SMN2
SCHEMBL27637077 0.69 SMN1; SMN2 (0.48) BAZ2BGAAKDM4ESMN1; SMN2KMT2A
SCHEMBL17134054 0.68 BAZ2B (0.50) BAZ2BGAAKDM4EBCHERAB9A

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-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed