SCHEMBL7423150

SCHEMBL7423150

Cc1ccccc1C(OCCN1CCN(CCO)CC1)c1ccccc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.65
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SIGMAR1 Q99720 2/20 0.47
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 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
SCHEMBL4728006 0.78 CHRNA7 (0.77) CHRNA7MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL8097776 0.76 CHRNA7 (0.79) CHRNA7MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL10552209 0.76 CHRNA7 (0.66) CHRNA7MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL9590780 0.75 HTR1A (0.42) CHRNA7KMT2ASIGMAR1SLC6A4SLC6A3
SCHEMBL8892312 0.72 CHRNA7 (0.58) CHRNA7MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL8893433 0.72 CHRNA7 (0.55) CHRNA7MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL7418255 0.72 SIGMAR1 (0.71) MEN1KMT2ASIGMAR1SLC6A4SLC6A3
SCHEMBL10357800 0.71 SIGMAR1 (0.81) MEN1KMT2ASIGMAR1SLC6A4SLC6A3
SCHEMBL4669319 0.71 CYP2D6 (0.68) CHRNA7MEN1KMT2ASLC6A4SLC6A3
SCHEMBL8892798 0.71 CHRNA7 (0.60) CHRNA7MEN1KMT2ASIGMAR1SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276035-A Central nervous system disorders; Parkinson's disease; antidepressant and dopaminergic agent NOVO NORDISK A/S (DK) 1994-01-04 US disclosed
EP-0541617-A1 1,4-DISUBSTITUTED PIPERAZINES. NOVO NORDISK AS (DK) 1993-05-19 EP disclosed
WO-1992001679-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1992-02-06 WO disclosed