SCHEMBL7330504

SCHEMBL7330504

CNCCc1c[nH]c2ccc(-c3ccccc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
HTR1A P08908 2/20 0.66
HTR2A P28223 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HTT P42858 1/20 0.66
MPO P05164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP2D6 P10635 1/20 0.63
HTR2C P28335 1/20 0.63
KMT2A Q03164 1/20 0.63
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TRPV1 Q8NER1 4/20 0.54
FAAH O00519 1/20 0.54
SNCA P37840 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA7 P36544 1/20 0.52

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
SCHEMBL6922503 0.83 CYP1A2 (0.70) KDM4EHTR1AALDH1A1MPOMEN1
SCHEMBL24453252 0.81 HTR2C (0.62) CYP2D6HTR2CTRPV1FAAHCDK4
SCHEMBL2536567 0.81 LTA4H (0.67) KDM4EHTR1AHTR2AMPOCYP2D6
SCHEMBL25493845 0.80 NR4A2 (0.55) TRPV1FAAHLTA4HPLA2G2A
SCHEMBL7323553 0.80 HTR1D (0.68) HTR1AHTR2AMPOCYP2D6HTR2C
SCHEMBL29385251 0.80 HTR2A (1.00) KDM4EHTR1AHTR2AALDH1A1HTT
SCHEMBL379409 0.80 HTR2A (1.00) KDM4EHTR1AHTR2AALDH1A1HTT
SCHEMBL4303662 0.79 KDM4E (0.70) KDM4EHTR1AHTR2AALDH1A1HTT
Hydrochloric Acid SCHEMBL2684408 0.79 HTR2A (0.97) KDM4EHTR1AHTR2AALDH1A1HTT
SCHEMBL10648384 0.78 CHRNB2 (0.78) KDM4EHTR1AHTR2AALDH1A1HTT

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-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed