SCHEMBL7963932

SCHEMBL7963932

O=C1CCCC(c2ccccc2)N1C(=O)NCCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 13/20 0.53
ADRA1B P35368 13/20 0.53
ADRA1D P25100 12/20 0.53
HRH1 P35367 2/20 0.53
DRD2 P14416 1/20 0.52
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CHRM4 P08173 1/20 0.47
CCR2 P41597 2/20 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
Hydrochloric Acid SCHEMBL7960516 0.99 ADRA1A (0.53) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL7971478 0.89 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962799 0.89 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962803 0.89 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7963307 0.88 ADRA1A (0.64) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7966238 0.80 ADRA1A (0.63) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7966205 0.80 ADRA1A (0.63) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7966207 0.80 ADRA1A (0.63) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7965663 0.79 ADRA1A (0.62) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7965667 0.79 ADRA1A (0.62) ADRA1AADRA1BADRA1DHRH1ADRA2A

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-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US claimed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed