SCHEMBL27795799

SCHEMBL27795799

COC(=O)CCCn1nc(-c2ccccc2)c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ CMKLR1 Q99788 1/20 0.36
▸ REN P00797 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ CETP P11597 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ FAAH O00519 1/20 0.34

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
SCHEMBL27774894 0.86 KDM1A (0.36) TSHRHPGDMAPTHSD11B1REN
SCHEMBL27795796 0.86 SLC22A12 (0.38) HSD11B1RENNR1H4CETP
SCHEMBL13132300 0.80 REN (0.40) HSD11B1RENNR1H4HTR2CSLC6A4
SCHEMBL13132277 0.80 REN (0.46) HSD11B1RENNR1H4
SCHEMBL2834678 0.79 REN (0.49) HSD11B1RENNR1H4
SCHEMBL13132274 0.79 REN (0.41) RENNR1H4
Hydrochloric Acid SCHEMBL27774966 0.79 TSHR (0.47) TSHRKDM4EHSD17B10KMT2AALDH1A1
SCHEMBL18509080 0.79 HSD11B1 (0.39) TSHRHSD11B1RENNR1H4CETP
SCHEMBL2810132 0.77 REN (0.41) RENNR1H4
SCHEMBL18509079 0.77 REN (0.40) HSD11B1RENNR1H4CETPHTR2C

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
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 — — CN disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 — — CN disclosed
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