SCHEMBL8865285

SCHEMBL8865285

COc1ccc2c(c1)CCCC2c1c[nH]cn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.50
CYP19A1 P11511 2/20 0.43
CHRNA7 P36544 1/20 0.43
SRD5A1 P18405 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 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
SCHEMBL7609736 0.94 CYP19A1 (0.46) GID4CYP19A1CHRNA7SRD5A1HTR2C
SCHEMBL8865423 0.87 KDM4C (0.41) GID4
SCHEMBL7607644 0.83 CYP19A1 (0.46) CYP19A1CHRNA7SIGMAR1HTR2C
SCHEMBL8865117 0.83 SRD5A1 (0.39) GID4SRD5A1
SCHEMBL8865242 0.82 CHRNA7 (0.41) CHRNA7
SCHEMBL8865718 0.81 SRD5A1 (0.39) SRD5A1HTR2C
SCHEMBL8865200 0.81 ESR1 (0.44) CYP19A1SIGMAR1
SCHEMBL769063 0.78 ADRA1A (0.55) GID4
SCHEMBL8865945 0.78 HTR1A (0.41)
SCHEMBL7038653 0.77 SIGMAR1 (0.49) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US claimed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP claimed
JP-8208622-A None JP disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
JP-H08208622-A SUBSTITUTED 1H-IMIDAZOLE UCB SA 1996-08-13 JP disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP disclosed