SCHEMBL9085384

SCHEMBL9085384

CC(C)OC(=O)Nc1ccc2c(N(C)CCN3CCOCC3)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CASR P41180 5/20 0.42
▸ TERT O14746 1/20 0.39
▸ GRM4 Q14833 5/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NR1I3 Q14994 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 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
SCHEMBL6959466 0.84 CASR (0.45) POLBLMNACASREPHX2TSHR
SCHEMBL6951008 0.80 HRH3 (0.41) EPHX2ALDH1A1
SCHEMBL3505067 0.79 ACHE (0.40) LMNAGRM4EPHX2ALDH1A1HPGD
SCHEMBL3508760 0.78 HTR2A (0.39) CASRALDH1A1
SCHEMBL8947062 0.78 ACHE (0.42) LMNAALDH1A1HPGD
SCHEMBL3504376 0.77 GRM4 (0.41) LMNAGRM4TSHRALDH1A1HPGD
SCHEMBL3505500 0.76 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL3505169 0.75 CASR (0.42) CASRALDH1A1
SCHEMBL6956988 0.74 ACHE (0.47) POLBALDH1A1HTT
SCHEMBL3505352 0.73 LMNA (0.42) LMNAGRM4ALDH1A1

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-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US claimed
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