SCHEMBL9448162

SCHEMBL9448162

COc1cccc2c1CCC1CCC(=O)N(C)CC21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 19/20 0.53
ADRA1A P35348 3/20 0.53

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 SCHEMBL10835686 0.80 ADRA1B (0.58) ADRA1BADRA1A
SCHEMBL9448218 0.78 SRD5A1 (0.58)
SCHEMBL9448222 0.78 SRD5A1 (0.58)
SCHEMBL9448145 0.78 SRD5A1 (0.58)
SCHEMBL9448135 0.78 SRD5A1 (0.58)
SCHEMBL9448141 0.78 SRD5A1 (0.58)
SCHEMBL8127872 0.76 ADRA1B (0.66) ADRA1BADRA1A
SCHEMBL7852402 0.76 ADRA1B (0.66) ADRA1BADRA1A
Hydrochloric Acid SCHEMBL8129441 0.75 ADRA1B (0.65) ADRA1BADRA1A
Hydrochloric Acid SCHEMBL8139060 0.75 ADRA1B (0.65) ADRA1BADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed