SCHEMBL7141483

SCHEMBL7141483

NCCN1CCC(=C2c3ccccc3CCn3ncnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 4/20 0.42
HRH1 P35367 4/20 0.40
DRD2 P14416 3/20 0.40
CHRM2 P08172 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM1 P11229 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
DRD3 P35462 6/20 0.35
DRD1 P21728 3/20 0.35
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL7136207 0.85 SETD7 (0.59) SETD7HRH1DRD2CHRM2HTR1A
SCHEMBL7142802 0.84 HRH1 (0.41) SETD7HRH1DRD2CHRM2HTR1A
SCHEMBL7142235 0.83 HRH1 (0.41) SETD7HRH1DRD2CHRM2HTR1A
SCHEMBL7136916 0.83 SETD7 (0.38) SETD7HRH1DRD2CHRM2HTR1A
SCHEMBL7135254 0.80 SIGMAR1 (0.45) ADRA1AKCNH2ADRA1DADRA1B
SCHEMBL7139800 0.80 PRMT5 (0.36) SETD7HRH1DRD2CHRM2HTR1A
SCHEMBL6808721 0.79 SETD7 (0.65) SETD7HRH1DRD2CHRM2HTR1A
Oxalic Acid SCHEMBL7138914 0.79 KDM4E (0.40) SETD7HRH1DRD2CHRM2HTR1A
SCHEMBL6988796 0.78 SETD7 (0.44) SETD7HRH1DRD2CHRM2HTR1A
Oxalic Acid SCHEMBL7138856 0.76 HTR5A (0.49) HRH1DRD2HTR1AHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed
EP-0675887-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013671-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed