SCHEMBL19977427

SCHEMBL19977427

CN1CCN(C[C@H]2CCN(CCO)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
NCF1 P14598 1/20 0.35
ACHE P22303 1/20 0.35
SLC18A3 Q16572 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL20231639 1.00 MAPK1 (0.36) MAPK1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL23867022 0.87 ALDH1A1 (0.36) MAPK1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL26378522 0.84 NCF1 (0.36) NCF1ACHESIGMAR1
SCHEMBL20334541 0.83 MAPK1 (0.33) MAPK1ACHESLC18A3ALDH1A1KDM4E
SCHEMBL25571725 0.83 NCF1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CNCF1
SCHEMBL22297535 0.81 GBA1 (0.41) ACHESLC18A3CHRM5ADRA2CSIGMAR1
SCHEMBL23172474 0.81 NCF1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CNCF1
SCHEMBL23172479 0.81 NCF1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CNCF1
SCHEMBL10202211 0.81 NCF1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CNCF1
SCHEMBL19977416 0.79 GBA1 (0.34) MAPK1CACNA2D1CACNA1BCACNB1CACNA1C

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
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
WO-2018053354-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-03-22 WO disclosed