SCHEMBL20004991

SCHEMBL20004991

CC(C)c1ccc(N(CCI)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 2/20 0.50
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL20004339 0.84 CNR2 (0.50) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL5949383 0.76 CYP2C19 (0.63) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL10779746 0.76 CYP2C19 (0.63) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL12342177 0.75 CYP2C19 (0.49) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL10781546 0.73 CYP2C19 (0.59) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL4428266 0.72 TSHR (0.70) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL51810 0.71 CYP2C19 (0.61) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL20004984 0.71 PYCR1 (0.57) CNR2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14074811 0.71 CYP2C19 (0.56) CNR2CNR1CYP2C19TSHRLMNA
SCHEMBL2960872 0.71 CYP2C19 (0.78) CNR2CYP2C19TSHRLMNANR1H2

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-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed