SCHEMBL8873403

SCHEMBL8873403

COc1ccccc1C1(O)C(O)CCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM4 P08173 1/20 0.43
POLB P06746 1/20 0.42
ACHE P22303 4/20 0.41
BACE1 P56817 4/20 0.41
BCHE P06276 3/20 0.41
FUCA1 P04066 2/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8873941 0.90 MEN1 (0.46) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8875798 0.82 CHRM4 (0.41) MEN1KMT2ACHRM4POLBACHE
SCHEMBL5805867 0.82 MEN1 (0.50) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8873598 0.81 MEN1 (0.46) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8545147 0.81 TACR1 (0.43) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8874205 0.80 CHRM4 (0.42) MEN1KMT2ACHRM4ACHEFUCA1
SCHEMBL8875275 0.76 CHRM4 (0.40) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8873365 0.76 TACR1 (0.46) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8684093 0.74 CHRM4 (0.41) MEN1KMT2ACHRM4POLBACHE
SCHEMBL8874651 0.72 SIGMAR1 (0.46) KMT2ACHRM4SIGMAR1

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