SCHEMBL7715920

SCHEMBL7715920

Cc1ccccc1N1CCC(NCCN)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.45
SLC18A3 Q16572 1/20 0.43
NPY5R Q15761 1/20 0.42
TSHR P16473 1/20 0.41
DRD2 P14416 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
ATM Q13315 1/20 0.39
DRD3 P35462 2/20 0.39
LMNA P02545 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL7714901 0.82 DRD2 (0.50) ADRB1DRD2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7714987 0.80 KDM4E (0.44) DRD2ALDH1A1KDM4EDRD3C5AR1
SCHEMBL7711170 0.78 NPC1 (0.55) DRD2ALDH1A1SMN1; SMN2CHRM1KDM4E
SCHEMBL7714769 0.78 OPRK1 (0.45) TSHRDRD2ALDH1A1HPGDSMN1; SMN2
SCHEMBL7718916 0.77 NPY1R (0.50) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL7718950 0.77 NPY1R (0.50) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL3436641 0.76 ADRB1 (0.51) ADRB1SLC18A3TSHRALDH1A1HPGD
SCHEMBL7715017 0.76 HRH1 (0.43) KDM4EKMT2AMEN1CHRM2CHRM5
SCHEMBL7716756 0.76 DRD2 (0.51) NPY5RDRD2CHRM1KDM4EUSP2
SCHEMBL7714964 0.74 ADRA1A (0.44) DRD2ALDH1A1KDM4EADRA1A

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