SCHEMBL9082629

SCHEMBL9082629

[CH2]N1CCC(C(=O)OCC)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ ALDH1A1 P00352 9/20 0.58
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TSHR P16473 1/20 0.48

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
SCHEMBL446501 0.82 MAPT (0.64) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL21480659 0.82 MAPT (0.64) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6983298 0.81 MAPT (0.68) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4221 0.81 — —
SCHEMBL8891623 0.81 MAPT (0.60) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL237380 0.81 MAPT (0.60) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2375356 0.81 MAPT (0.60) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL13116800 0.81 MAPT (0.62) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6990807 0.81 MAPT (0.62) MAPTALDH1A1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL9704969 0.81 MAPT (0.62) MAPTALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106278999-B S1P regulator 比奥根MA公司 2019-10-25 — — CN disclosed
CN-106278999-A S1p regulator 比奥根MA公司 2017-01-04 — — CN disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 — — WO disclosed
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