SCHEMBL7678947

SCHEMBL7678947

CN1CCN(Cc2[c]cc(N3CCOCC3)nc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ KMT2A Q03164 2/20 0.36
▸ PIK3CA P42336 6/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PIK3CB P42338 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ AIMP2 Q13155 1/20 0.35
▸ PIK3R1 P27986 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34

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
SCHEMBL7681981 0.88 HRH4 (0.39) HRH4SLC2A1MC4RHTR3EHTR3B
SCHEMBL7676496 0.71 MC4R (0.48) HRH4SLC2A1MC4RHTR3A
SCHEMBL5897129 0.70 HRH4 (0.55) NPSR1HRH4KMT2AHRH3PIK3CB
SCHEMBL7679970 0.68 MC4R (0.42) HRH4KMT2AHRH3CYP1A2CYP2D6
SCHEMBL7674618 0.67 HRH3 (0.37) NPSR1HRH4PIK3CAHRH3PIK3CB
SCHEMBL5897044 0.66 HRH4 (0.50) NPSR1HRH4KMT2APIK3CBCRHBP
SCHEMBL7681827 0.65 PIK3CA (0.47) NPSR1HRH4KMT2APIK3CAHRH3
SCHEMBL190232 0.64 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL12727282 0.64 PIK3CA (0.46) HRH4KMT2APIK3CAPIK3CBPIK3CD
SCHEMBL5896965 0.64 HRH3 (0.43) NPSR1HRH4KMT2APIK3CAHRH3

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-1146542-C Benzamide derivatives and their use as cytokine inhibitors — 2004-04-21 — — CN disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 — — US disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 — — CN disclosed
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