SCHEMBL6164884

SCHEMBL6164884

CNC1CCN(C(=O)C(N)Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.60
SMYD3 Q9H7B4 1/20 0.58
HDAC8 Q9BY41 3/20 0.57
ROCK2 O75116 1/20 0.56
CYP3A4 P08684 1/20 0.56
POLB P06746 1/20 0.55
DPP4 P27487 3/20 0.53
OPRK1 P41145 2/20 0.53
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
DPP7 Q9UHL4 2/20 0.51
FAP Q12884 1/20 0.51
TACR1 P25103 1/20 0.49

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
SCHEMBL3145714 0.87 DPP4 (0.57) OPRD1SMYD3DPP4DPP8DPP9
SCHEMBL7360693 0.85 HPGD (0.66) OPRD1SMYD3HDAC8POLBDPP4
SCHEMBL6161830 0.83 OPRD1 (0.65) OPRD1SMYD3HDAC8POLBDPP4
SCHEMBL3133533 0.83 OPRD1 (0.65) OPRD1SMYD3HDAC8POLBDPP4
SCHEMBL6705226 0.83 HDAC8 (0.56) OPRD1SMYD3HDAC8ROCK2CYP3A4
Hydrochloric Acid SCHEMBL6165745 0.82 HDAC8 (0.63) OPRD1SMYD3HDAC8POLBDPP4
Hydrochloric Acid SCHEMBL6163301 0.82 HDAC8 (0.63) OPRD1SMYD3HDAC8POLBDPP4
Hydrochloric Acid SCHEMBL6163295 0.82 HDAC8 (0.63) OPRD1SMYD3HDAC8POLBDPP4
SCHEMBL4969587 0.82 SMYD3 (0.61) OPRD1SMYD3HDAC8ROCK2CYP3A4
SCHEMBL5891540 0.82 HDAC8 (0.60) OPRD1HDAC8ROCK2CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed