SCHEMBL8874205

SCHEMBL8874205

COc1ccccc1C1(O)C(O)CC(C)(c2ccccc2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FUCA1 P04066 2/20 0.38
DRD4 P21917 1/20 0.37
S1PR1 P21453 1/20 0.36
NR1I2 O75469 1/20 0.36
RORC P51449 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL8545147 0.88 TACR1 (0.43) CHRM4MEN1KMT2AFUCA1DRD4
SCHEMBL8875798 0.88 CHRM4 (0.41) CHRM4MEN1KMT2AFUCA1DRD4
SCHEMBL8873403 0.80 MEN1 (0.46) CHRM4MEN1KMT2AFUCA1ACHE
SCHEMBL8875107 0.78 SIGMAR1 (0.42) CHRM4KMT2A
SCHEMBL5805867 0.77 MEN1 (0.50) CHRM4MEN1KMT2AFUCA1DRD4
SCHEMBL8873941 0.74 MEN1 (0.46) CHRM4MEN1KMT2AFUCA1ACHE
SCHEMBL8873365 0.73 TACR1 (0.46) CHRM4MEN1KMT2ADRD4ACHE
SCHEMBL8875275 0.72 CHRM4 (0.40) CHRM4MEN1KMT2ADRD4S1PR1
SCHEMBL8875023 0.72 TACR1 (0.45) CHRM4MEN1KMT2ADRD4ACHE
SCHEMBL8875253 0.71 CHRM4 (0.44) CHRM4MEN1KMT2AACHE

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