SCHEMBL7933957

SCHEMBL7933957

CCOc1ccccc1N1CCN(CCCOc2cc(C(=O)c3cn(CCCC(=O)O)c4ccccc34)ccc2N(C)c2ccc(C)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 2/20 0.46
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7937279 0.94 ADRA1D (0.46) ADRA1DADRA1AADRA1BDRD2DRD4
Hydrochloric Acid SCHEMBL7934780 0.90 ADRA1D (0.46) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7924491 0.89 ADRA1D (0.53) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7931378 0.89 ADRA1D (0.52) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7924512 0.89 ADRA1D (0.54) ADRA1DADRA1AADRA1BKMT2A
Hydrochloric Acid SCHEMBL7924578 0.88 ADRA1D (0.53) ADRA1DADRA1AADRA1BDRD2DRD3
Hydrochloric Acid SCHEMBL7933296 0.88 ADRA1D (0.53) ADRA1DADRA1AADRA1BDRD2DRD4
Hydrochloric Acid SCHEMBL7933279 0.87 ADRA1D (0.52) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7924592 0.87 ADRA1D (0.52) ADRA1DADRA1AADRA1BDRD2MEN1
Hydrochloric Acid SCHEMBL7937268 0.87 ADRA1D (0.44) ADRA1DADRA1AADRA1BSRD5A1SRD5A2

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-6242449-B1 TREATING PROSTATIC HYPERTROPHY, URINATION DISORDERS ASSOCIATED WITH PROSTATIC HYPERTROPHY, MALE PATTERN ALOPECIA, OR ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-0997457-A1 3-BENZOYLINDOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-05-03 EP disclosed