SCHEMBL28015708

SCHEMBL28015708

[CH2]CCCN1CCN(C(=O)OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.45
▸ SLC6A3 Q01959 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL28015725 0.95 CHRM3 (0.46) SLC6A4SLC6A3SMN1; SMN2TP53CYP1A2
SCHEMBL28015740 0.92 SLC6A4 (0.47) SLC6A4SLC6A3TSHRALDH1A1KDM4E
SCHEMBL28015720 0.86 ALDH1A1 (0.47) SLC6A4SLC6A3TSHRALDH1A1KDM4E
SCHEMBL28015716 0.86 CHRM3 (0.58) TSHRSIGMAR1ALDH1A1KDM4ECHRM3
SCHEMBL27518463 0.83 MGLL (0.53) CYP1A2CYP2D6MAPTCYP2C9TSHR
SCHEMBL3457842 0.80 P2RX7 (0.59) TP53CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL5536999 0.77 MEN1 (0.57) SMN1; SMN2CYP2C19RAB9ASIGMAR1MEN1
SCHEMBL4187004 0.75 MGLL (0.68) CYP1A2CYP2D6MAPTCYP2C9MAPK1
SCHEMBL3458697 0.75 DRD2 (0.69) ALOX15SIGMAR1ALDH1A1MEN1BLM
SCHEMBL10730867 0.74 HRH2 (0.61) TSHRALDH1A1KDM4E

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
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