SCHEMBL7142802

SCHEMBL7142802

CCOCCN1CCC(=C2c3ccccc3CCn3ncnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.41
SETD7 Q8WTS6 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL7141483 0.84 SETD7 (0.42) HRH1SETD7CHRM2HTR1ACHRM1
SCHEMBL7136207 0.83 SETD7 (0.59) HRH1SETD7CYP1A2CYP3A4CYP2D6
SCHEMBL8200919 0.82 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7135254 0.80 SIGMAR1 (0.45) ADRA1AKCNH2SIGMAR1TDP1
SCHEMBL7136762 0.80 HRH1 (0.64) HRH1CYP3A4CYP2D6CYP2C9CYP2C19
Oxalic Acid SCHEMBL7138914 0.79 KDM4E (0.40) HRH1SETD7CYP2D6CYP2C19CHRM2
SCHEMBL7142235 0.78 HRH1 (0.41) HRH1SETD7CYP1A2CYP3A4CYP2D6
SCHEMBL7136916 0.78 SETD7 (0.38) HRH1SETD7CHRM2HTR1ACHRM1
Oxalic Acid SCHEMBL7138856 0.78 HTR5A (0.49) HRH1HTR1ADRD2HTR2AHTR2B
SCHEMBL7139800 0.76 PRMT5 (0.36) HRH1SETD7CHRM2HTR1ACHRM1

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 1 patent. 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