SCHEMBL7714901

SCHEMBL7714901

COc1ccccc1N1CCC(NCCN)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR3A P46098 1/20 0.49
HTR6 P50406 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 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
SCHEMBL26418374 0.88 DRD2 (0.51) DRD2DRD3ALDH1A1SIGMAR1HTR3E
SCHEMBL24124019 0.86 DRD2 (0.50) DRD2DRD3ALDH1A1SIGMAR1HTR3E
SCHEMBL7715920 0.82 ADRB1 (0.45) DRD2DRD3ALDH1A1ADRB1LMNA
SCHEMBL7714964 0.81 ADRA1A (0.44) DRD2ALDH1A1CYP2C19KDM4EADRA1D
SCHEMBL7718924 0.81 TSHR (0.51) DRD2DRD3
SCHEMBL8693688 0.80 DRD2 (0.58) DRD2DRD3ALDH1A1SIGMAR1HTR3E
SCHEMBL7714769 0.80 OPRK1 (0.45) DRD2DRD3ALDH1A1LMNAMAPT
SCHEMBL7677643 0.79 DRD2 (0.57) DRD2DRD3ALDH1A1SIGMAR1HTR3E
SCHEMBL7716782 0.78 DRD2 (0.69) DRD2DRD3ADRA1A
SCHEMBL7714987 0.77 KDM4E (0.44) DRD2DRD3ALDH1A1KDM4E

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