SCHEMBL9017429

SCHEMBL9017429

COc1ccc2c(c1)C(CCNC(=O)C(C)(C)C)c1cc(OC)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.49
MTNR1B P49286 15/20 0.49
NQO2 P16083 14/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8643630 0.85 MTNR1A (0.60) MTNR1AMTNR1BNQO2SMN1; SMN2
SCHEMBL8639949 0.83 MTNR1A (0.49) MTNR1AMTNR1BNQO2ALDH1A1SMN1; SMN2
SCHEMBL8646700 0.83 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL8641737 0.82 MTNR1A (0.62) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8646238 0.82 MTNR1A (0.48) MTNR1AMTNR1BNQO2LMNA
SCHEMBL8638751 0.81 MTNR1A (0.54) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8640441 0.81 NQO2 (0.63) MTNR1AMTNR1BNQO2
SCHEMBL9017422 0.80 SMN1; SMN2 (0.49) MTNR1AMTNR1BNQO2ALDH1A1SMN1; SMN2
SCHEMBL8638887 0.80 SMN1; SMN2 (0.49) MTNR1AMTNR1BNQO2ALDH1A1SMN1; SMN2
SCHEMBL8643826 0.80 MTNR1A (0.55) MTNR1AMTNR1BNQO2SMN1; SMN2

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
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed