SCHEMBL3656053

SCHEMBL3656053

NCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.66
▸ HRH3 Q9Y5N1 11/20 0.64
▸ AR P10275 2/20 0.59
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ PREP P48147 2/20 0.52

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
SCHEMBL24564636 0.86 SIGMAR1 (0.66) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24564633 0.84 SIGMAR1 (0.60) SIGMAR1HRH3ARALDH1A1
SCHEMBL24564680 0.83 HRH3 (0.64) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24564566 0.82 HRH3 (0.63) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL15314413 0.82 SIGMAR1 (0.73) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL15314418 0.82 SIGMAR1 (0.73) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL5360252 0.82 SIGMAR1 (0.64) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL4868100 0.82 SIGMAR1 (0.64) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL10123280 0.82 SIGMAR1 (0.76) SIGMAR1HRH3PREP
SCHEMBL870758 0.82 SIGMAR1 (0.76) SIGMAR1HRH3PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 — — US claimed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 — — EP claimed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 — — EP claimed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 — — WO claimed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 — — US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 — — EP disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 — — EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 — — WO disclosed
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