SCHEMBL9729430

SCHEMBL9729430

COc1ccccc1CC(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.80
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
MAPT P10636 2/20 0.80
CYP3A4 P08684 1/20 0.80
TSHR P16473 1/20 0.80
CYP2C19 P33261 1/20 0.80
FNTA P49354 6/20 0.61
FNTB P49356 6/20 0.61
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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 1.00 TACR1 (0.80) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL8873856 0.91 TACR1 (0.67) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL9729331 0.90 TACR1 (0.68) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL9729902 0.90 TACR1 (0.66) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL9730230 0.89 TACR1 (0.65) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL4349316 0.89 TACR1 (1.00) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL29373792 0.89 TACR1 (1.00) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL7551020 0.89 TACR1 (1.00) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL8460496 0.89 TACR1 (1.00) TACR1KMT2AMEN1MAPTCYP3A4
SCHEMBL14434342 0.89 TACR1 (1.00) TACR1KMT2AMEN1MAPTCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed