SCHEMBL9730230

SCHEMBL9730230

CC(C)Oc1ccccc1CC(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
FNTA P49354 7/20 0.50
FNTB P49356 7/20 0.50
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL9729596 0.89 TACR1 (0.80) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729430 0.89 TACR1 (0.80) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9730162 0.85 TACR1 (0.62) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729234 0.84 TACR1 (0.61) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729210 0.84 TACR1 (0.66) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729456 0.83 TACR1 (0.59) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9372683 0.83 TACR1 (0.72) TACR1MEN1KMT2ACYP3A4MAPT
Hydrochloric Acid SCHEMBL9729558 0.82 TACR1 (0.71) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729985 0.82 TACR1 (0.58) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729329 0.82 TACR1 (0.58) TACR1MEN1KMT2ACYP3A4MAPT

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-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed