SCHEMBL8916558

SCHEMBL8916558

CCCc1cc2cc(OC)ccc2n1N1CCC(CC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM2B Q8NHM5 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37

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 SCHEMBL8917127 0.99 DRD2 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8916231 0.93 DRD2 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8917061 0.92 DRD2 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8916089 0.90 DRD2 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8916850 0.83 HSD11B1 (0.51) DRD2HTR2AHTR2CALDH1A1KDM2B
Hydrochloric Acid SCHEMBL8917649 0.80 HSD11B1 (0.48) DRD2HTR2AHTR2CALDH1A1KDM2B
SCHEMBL8916564 0.71 KDM4E (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8307225 0.70 NQO2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8917131 0.70 KDM4E (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8913070 0.70 NQO2 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1

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
US-5703070-A PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed