SCHEMBL6258469

SCHEMBL6258469

CCCCc1c(N)cccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 4/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL10903924 0.95 CYP3A4 (0.48) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL5685703 0.90 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL2972655 0.90 LMNA (0.50) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL6895810 0.87 GABRP (0.49) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL27556126 0.85 CYP3A4 (0.46) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL5370893 0.84 CYP3A4 (0.53) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL6285466 0.83 CYP3A4 (0.45) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL28371050 0.83 LMNA (0.55) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL6535320 0.83 LMNA (0.55) ALDH1A1HSD17B10LMNACYP3A4MEN1
SCHEMBL27405674 0.83 LMNA (0.55) ALDH1A1HSD17B10LMNACYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073552-C Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACEUTICALS INC (US) 2001-10-24 CN claimed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN claimed
EP-1581202-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME Renovis, Inc. (US) 2005-10-05 EP disclosed
WO-2004060286-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME RENOVIS, INC. (US) 2004-07-22 WO disclosed
CN-1073552-C Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACEUTICALS INC (US) 2001-10-24 CN disclosed
EP-1079820-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-03-07 EP disclosed
WO-1999059569-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
EP-0929525-A2 NOVEL HETEROARYLOXYETHYLAMINES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP disclosed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN disclosed
WO-1998013349-A2 HETEROARYLOXYETHYLAMINES AS 5-HT1A LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO disclosed