SCHEMBL8970690

SCHEMBL8970690

OC(CCN1CC=C(c2ccccc2)CC1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.61
SLC6A2 P23975 4/20 0.58
SLC6A3 Q01959 4/20 0.58
SIGMAR1 Q99720 3/20 0.49
DRD1 P21728 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
HTR1A P08908 1/20 0.46
KCNA3 P22001 1/20 0.44

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
Hydrochloric Acid SCHEMBL8971478 0.99 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
SCHEMBL8970731 0.93 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
SCHEMBL8971041 0.92 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
SCHEMBL8971631 0.92 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
Hydrochloric Acid SCHEMBL8970739 0.91 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
SCHEMBL8971350 0.90 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8970627 0.88 PPARG (0.51) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
SCHEMBL8970859 0.88 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3SIGMAR1DRD1
SCHEMBL9092085 0.88 SIGMAR1 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL9093691 0.88 SIGMAR1 (0.51) SLC6A4SLC6A2SLC6A3SIGMAR1

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-0490560-B1 1,2,3,6-Tetrahydropyridine derivatives RICHTER GEDEON VEGYESZET (HU) 1996-03-20 EP claimed