SCHEMBL8357643

SCHEMBL8357643

O=C(N[C@@H]1CCCC2CCN2C1)c1cccc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.51
▸ TNKS O95271 1/20 0.49
▸ CHRM1 P11229 1/20 0.45
▸ SIGMAR1 Q99720 6/20 0.44
▸ SGK1 O00141 1/20 0.44
▸ CNR2 P34972 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ METTL3 Q86U44 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ PRMT5 O14744 1/20 0.43

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
SCHEMBL8354196 1.00 PARP1 (0.51) PARP1TNKSCHRM1SIGMAR1SGK1
SCHEMBL8359202 0.83 PARP1 (0.48) PARP1CHRM1SIGMAR1SGK1PRMT5
SCHEMBL8354859 0.83 PARP1 (0.48) PARP1CHRM1SIGMAR1SGK1PRMT5
SCHEMBL14748055 0.79 NPC1 (0.69) PARP1SIGMAR1CNR2CNR1
SCHEMBL8357618 0.79 NPC1 (0.69) PARP1SIGMAR1CNR2CNR1
SCHEMBL8357104 0.77 HRH3 (0.48) PARP1
SCHEMBL8358764 0.77 ROCK2 (0.56) PARP1
SCHEMBL8354199 0.77 ROCK2 (0.56) PARP1
SCHEMBL8354510 0.77 HRH3 (0.48) PARP1
SCHEMBL11609236 0.74 SIGMAR1 (0.60) SIGMAR1

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-1543000-B1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2013-03-06 — — EP disclosed
EP-2305675-A1 Indazoles, Benzothiazoles, and Benzoisothiazoles, and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-04-06 — — EP disclosed
WO-2004029050-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2004-04-08 — — WO disclosed
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