SCHEMBL7718924

SCHEMBL7718924

COc1ccccc1N1CCC(NCC(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.49
DRD2 P14416 5/20 0.48
DRD3 P35462 4/20 0.48
DRD4 P21917 2/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7719028 0.84 MYC (0.44) TSHRHPGDRAB9A
SCHEMBL7714962 0.82 ADRA1A (0.47) DRD2
SCHEMBL7714901 0.81 DRD2 (0.50) DRD2DRD3
SCHEMBL7711167 0.81 NPC1 (0.56)
SCHEMBL24124019 0.81 DRD2 (0.50) TSHRDRD2DRD3
SCHEMBL20140998 0.79 MCOLN2 (0.55) HPGDDRD2DRD3DRD4HTR1A
SCHEMBL26418374 0.79 DRD2 (0.51) DRD2DRD3
SCHEMBL8125499 0.79 HTR1A (0.59) TSHRHPGDDRD2DRD3HTR1A
SCHEMBL7715922 0.79 DRD4 (0.47) DRD2DRD3DRD4
SCHEMBL7716782 0.78 DRD2 (0.69) DRD2DRD3DRD4

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-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed