SCHEMBL8435196

SCHEMBL8435196

O=c1ccc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 1.00
DRD2 P14416 10/20 0.81
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA3 P07451 1/20 0.64
CA4 P22748 1/20 0.64
CA5A P35218 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
KMT2A Q03164 1/20 0.59
MAOB P27338 2/20 0.57
CYP19A1 P11511 1/20 0.57

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
SCHEMBL8431223 0.89 DRD4 (1.00) DRD4DRD2
SCHEMBL8431212 0.84 DRD4 (1.00) DRD4DRD2CA12CA1CA2
SCHEMBL8433608 0.83 DRD4 (0.80) DRD4DRD2KMT2A
SCHEMBL8431263 0.82 DRD4 (1.00) DRD4DRD2
SCHEMBL8934559 0.80 DRD4 (1.00) DRD4DRD2
SCHEMBL8431572 0.79 DRD4 (1.00) DRD4DRD2
SCHEMBL8520441 0.79 DRD4 (0.77) DRD4DRD2
SCHEMBL8431470 0.79 DRD4 (1.00) DRD4DRD2
SCHEMBL4783447 0.77 DRD4 (0.64) DRD4DRD2CYP19A1
SCHEMBL8435285 0.76 DRD4 (0.76) DRD4DRD2MAOB

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-5922719-A 4-AROMATIC-SUBSTITUTED-PIPERAZIN-1-YLMETHYLCHROMEN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-07-13 US claimed
US-5922719-A 4-AROMATIC-SUBSTITUTED-PIPERAZIN-1-YLMETHYLCHROMEN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed