SCHEMBL9571237

SCHEMBL9571237

CCCCCCC1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
DRD2 P14416 1/20 0.48
HTR6 P50406 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
CYP2D6 P10635 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL28989836 1.00 BCHE (0.58) BCHEDRD2HTR6SIGMAR1CYP2D6
SCHEMBL28256253 1.00 BCHE (0.58) BCHEDRD2HTR6SIGMAR1CYP2D6
SCHEMBL28989835 1.00 BCHE (0.58) BCHEDRD2HTR6SIGMAR1CYP2D6
SCHEMBL19259383 1.00 BCHE (0.58) BCHEDRD2HTR6SIGMAR1CYP2D6
SCHEMBL27515867 1.00 BCHE (0.58) BCHEDRD2HTR6SIGMAR1CYP2D6
SCHEMBL29903265 0.98 BCHE (0.56) BCHEDRD2HTR6SIGMAR1CYP2D6
SCHEMBL6758153 0.98 BCHE (0.59) BCHEDRD2HTR6SIGMAR1MTNR1A
SCHEMBL27838111 0.93 BCHE (0.60) BCHEDRD2HTR6SIGMAR1MTNR1A
SCHEMBL7086030 0.90 SIGMAR1 (0.56) BCHESIGMAR1
SCHEMBL28543868 0.90 SIGMAR1 (0.56) BCHESIGMAR1

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-0549245-A1 Para-xylene adsorptive separation with indan or indan derivatives as heavy desorbent UOP (US) 1993-06-30 EP claimed
US-5159131-A Chromatography UOP (US) 1992-10-27 US claimed
EP-0549245-A1 Para-xylene adsorptive separation with indan or indan derivatives as heavy desorbent UOP (US) 1993-06-30 EP disclosed
US-5159131-A Chromatography UOP (US) 1992-10-27 US disclosed