SCHEMBL8636240

SCHEMBL8636240

c1cc(Cc2ccc3c(c2)OCCO3)c2c(c1)CC(CN1CCNCC1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP2D6 P10635 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ADRB1 P08588 1/20 0.36
CHRM3 P20309 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8638972 0.74 PDCD1 (0.46) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL7805194 0.73 SIGMAR1 (0.70) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL8638929 0.70 HTR1A (0.50) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL3143023 0.69 CYP2D6 (0.68) SIGMAR1DRD2ADRA2CDRD3CYP2D6
SCHEMBL8639458 0.69 HRH3 (0.39) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL3771402 0.67 SIGMAR1 (0.61) SIGMAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7810984 0.66 DRD2 (1.00) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL29639702 0.66 DRD2 (1.00) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL7814547 0.66 SIGMAR1 (0.65) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL11518881 0.65 CYP2D6 (0.60) SIGMAR1ADRA2CCYP2D6HRH3TSHR

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
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed