SCHEMBL11229913

SCHEMBL11229913

CCN1CC(OCc2ccc(C)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 0.57
SIGMAR1 Q99720 5/20 0.53
DRD4 P21917 4/20 0.53
TMEM97 Q5BJF2 4/20 0.53
ALDH1A1 P00352 1/20 0.47
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
AGXT P21549 2/20 0.41
PDE9A O76083 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL11221135 0.88 NAAA (0.44) NAAASIGMAR1DRD4TMEM97CTSL
SCHEMBL22788778 0.85 NAAA (0.42) NAAASIGMAR1DRD4TMEM97CTSL
SCHEMBL11232037 0.85 CARM1 (0.52) NAAASIGMAR1DRD4TMEM97CTSL
SCHEMBL11229024 0.84 CTSL (0.58) NAAASIGMAR1TMEM97ALDH1A1CTSL
SCHEMBL11236001 0.83 NAAA (0.59) NAAASIGMAR1AGXTHRH3
SCHEMBL11222724 0.82 NAAA (0.60) NAAASIGMAR1DRD4TMEM97CTSL
SCHEMBL11230944 0.82 NAAA (0.45) NAAASIGMAR1DRD4TMEM97ALDH1A1
SCHEMBL11232973 0.78 NAAA (0.56) NAAASIGMAR1DRD4TMEM97CTSL
SCHEMBL11236472 0.78 NAAA (0.56) NAAASIGMAR1DRD4TMEM97CTSL
SCHEMBL8930166 0.77 NAAA (0.54) NAAASIGMAR1DRD4TMEM97AGXT

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-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US claimed
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed