SCHEMBL6191391

SCHEMBL6191391

CC(C)Oc1cc(F)ccc1N1CCN(CC2CCc3ccccc3N2C(=O)C2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 6/20 0.45
▸ ADRA1A P35348 6/20 0.45
▸ ADRA1B P35368 6/20 0.45
▸ HTR1A P08908 4/20 0.43
▸ DRD2 P14416 3/20 0.42
▸ HTR1B P28222 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL6194507 0.93 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6192783 0.91 HTR1A (0.48) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6195360 0.90 HTR1A (0.41) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6191934 0.89 MEN1 (0.43) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6211824 0.88 DRD4 (0.49) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7052092 0.88 HTR1A (0.41) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6192684 0.87 TSHR (0.47) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6195130 0.86 POLB (0.44) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL6194300 0.86 HTR1A (0.48) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6195181 0.85 TSHR (0.47) ADRA1DADRA1AADRA1BHTR1A

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
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP claimed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP disclosed
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