SCHEMBL6164081

SCHEMBL6164081

NC(Cc1ccccc1)C(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
EPHX2 P34913 3/20 0.59
ALDH1A1 P00352 1/20 0.57
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
EPHX1 P07099 4/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CTSC P53634 1/20 0.52
TP53 P04637 1/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51

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
SCHEMBL353959 1.00 TDP1 (0.64) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7759004 0.99 TDP1 (0.62) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6166506 0.98 TDP1 (0.61) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20474616 0.90 ALDH1A1 (0.62) TDP1ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL18553983 0.90 ALDH1A1 (0.62) TDP1ALDH1A1KDM4ESMN1; SMN2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL8424410 0.89 TDP1 (0.53) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3006742 0.88 XIAP (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3006748 0.88 XIAP (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3006751 0.88 XIAP (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL14417240 0.87 ALPI (0.50) TDP1ALDH1A1KDM4ESMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101157720-B Template-fixed peptidomimetics as serine protease inhibitors POLYPHOR LTD 2012-04-04 CN disclosed
CN-1688600-B Template-fixed peptidomimetics with antibacterial activity POLYPHOR LTD 2010-04-28 CN disclosed
CN-101157720-A Template fixed peptide analogue as serine protease inhibitor POLLYFEURE CO LTD (CH) 2008-04-09 CN disclosed
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
CN-1688600-A Template-fixed peptidomimetics with antibacterial activity POLYPHOR LTD (CH) 2005-10-26 CN disclosed
CN-1582296-A Template-fixed peptidomimetics as serine protease inhibitors POLYPHOR LTD (CH) 2005-02-16 CN 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
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed