SCHEMBL6166506

SCHEMBL6166506

NC(Cc1ccccc1)C(=O)NC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 2/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.54
CTSC P53634 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
EPHX1 P07099 1/20 0.52
HPGD P15428 1/20 0.52
SLC15A1 P46059 1/20 0.50

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 0.98 TDP1 (0.64) TDP1SMN1; SMN2EPHX2ALDH1A1KDM4E
SCHEMBL6164081 0.98 TDP1 (0.64) TDP1SMN1; SMN2EPHX2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7759004 0.97 TDP1 (0.62) TDP1SMN1; SMN2EPHX2ALDH1A1KDM4E
SCHEMBL20474616 0.92 ALDH1A1 (0.62) TDP1SMN1; SMN2ALDH1A1KDM4ECTSC
SCHEMBL18553983 0.92 ALDH1A1 (0.62) TDP1SMN1; SMN2ALDH1A1KDM4ECTSC
SCHEMBL3006751 0.90 XIAP (0.51) TDP1SMN1; SMN2ALDH1A1KDM4ECTSC
SCHEMBL3006748 0.90 XIAP (0.51) TDP1SMN1; SMN2ALDH1A1KDM4ECTSC
SCHEMBL3006742 0.90 XIAP (0.51) TDP1SMN1; SMN2ALDH1A1KDM4ECTSC
SCHEMBL14417240 0.88 ALPI (0.50) TDP1SMN1; SMN2ALDH1A1KDM4ECTSC
Trifluoromethanesulfonic Acid SCHEMBL8424410 0.88 TDP1 (0.53) TDP1SMN1; SMN2EPHX2ALDH1A1KDM4E

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