SCHEMBL8873598

SCHEMBL8873598

COc1ccccc1C1(O)CCCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM4 P08173 2/20 0.45
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
POLB P06746 1/20 0.42
TACR1 P25103 1/20 0.41
ACHE P22303 3/20 0.40
BACE1 P56817 3/20 0.40
BCHE P06276 2/20 0.40
SIGMAR1 Q99720 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
SCHEMBL8875275 0.82 CHRM4 (0.40) MEN1KMT2ACHRM4CHRM2CHRM5
SCHEMBL8873403 0.81 MEN1 (0.46) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8873365 0.81 TACR1 (0.46) MEN1KMT2ACHRM4CHRM2CHRM5
SCHEMBL8873941 0.80 MEN1 (0.46) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8684093 0.80 CHRM4 (0.41) MEN1KMT2ACHRM4CHRM2CHRM5
SCHEMBL8875023 0.80 TACR1 (0.45) MEN1KMT2ACHRM4CHRM2CHRM5
SCHEMBL8875253 0.79 CHRM4 (0.44) MEN1KMT2ACHRM4CHRM2CHRM5
SCHEMBL12424447 0.78 FUCA1 (0.44) POLBACHE
SCHEMBL5805867 0.77 MEN1 (0.50) MEN1KMT2ACHRM4CHRM2CHRM5
SCHEMBL15908896 0.74 NPY1R (0.51) MEN1KMT2APOLBACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed