SCHEMBL8875253

SCHEMBL8875253

COc1ccccc1C1(O)CCC(=O)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.44
TACR1 P25103 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CCR8 P51685 1/20 0.39
SCN9A Q15858 1/20 0.39
ACHE P22303 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HSD11B1 P28845 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8873365 0.80 TACR1 (0.46) CHRM4TACR1MEN1KMT2ACHRM2
SCHEMBL8873598 0.79 MEN1 (0.46) CHRM4TACR1MEN1KMT2ACHRM2
SCHEMBL8875023 0.78 TACR1 (0.45) CHRM4TACR1MEN1KMT2AMAPT
SCHEMBL8874334 0.78 TACR1 (0.40) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL8874475 0.77 TACR1 (0.57) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL8875025 0.76 GAA (0.46) TACR1
SCHEMBL8874365 0.75 GAA (0.44) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL8875138 0.74 SIGMAR1 (0.46) CHRM4TACR1MEN1KMT2ACYP3A4
SCHEMBL8875275 0.74 CHRM4 (0.40) CHRM4TACR1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL8874853 0.73 SIGMAR1 (0.45) CHRM4TACR1MEN1KMT2ACYP3A4

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