SCHEMBL8875798

SCHEMBL8875798

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FUCA1 P04066 2/20 0.40
DRD4 P21917 1/20 0.39
ACHE P22303 2/20 0.38
POLB P06746 1/20 0.38
BACE1 P56817 1/20 0.38
BCHE P06276 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL8874205 0.88 CHRM4 (0.42) CHRM4MEN1KMT2AFUCA1DRD4
SCHEMBL8545147 0.87 TACR1 (0.43) CHRM4MEN1KMT2AFUCA1DRD4
SCHEMBL8873403 0.82 MEN1 (0.46) CHRM4MEN1KMT2AFUCA1ACHE
SCHEMBL5805867 0.80 MEN1 (0.50) CHRM4MEN1KMT2AFUCA1DRD4
SCHEMBL8873941 0.77 MEN1 (0.46) CHRM4MEN1KMT2AFUCA1ACHE
SCHEMBL8873365 0.76 TACR1 (0.46) CHRM4MEN1KMT2ADRD4ACHE
SCHEMBL8874747 0.75 SIGMAR1 (0.46) CHRM4KMT2ASIGMAR1
SCHEMBL8460147 0.74 TACR1 (0.60) CHRM4MEN1KMT2APOLBSIGMAR1
SCHEMBL8875023 0.74 TACR1 (0.45) CHRM4MEN1KMT2ADRD4ACHE
SCHEMBL8875275 0.74 CHRM4 (0.40) CHRM4MEN1KMT2ADRD4ACHE

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