SCHEMBL7811477

SCHEMBL7811477

COC(=O)[C@H](N)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
GPR84 Q9NQS5 2/20 0.49
NR4A2 P43354 1/20 0.49
CREBBP Q92793 1/20 0.49
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
PDE1C Q14123 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL5925145 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BGPR84NR4A2
SCHEMBL5925148 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BGPR84NR4A2
SCHEMBL14542028 0.86 HTR2A (0.54) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL14542027 0.86 HTR2A (0.54) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL5913450 0.84 HTR2A (0.48) HTR2AHTR2CHTR2BGPR84NR4A2
SCHEMBL5913085 0.84 GPR84 (0.53) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL195995 0.84 GPR84 (0.53) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL9583795 0.84 NR4A2 (0.53) HTR2AHTR2CHTR2BGPR84NR4A2
SCHEMBL195996 0.84 GPR84 (0.53) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL18135252 0.84 GPR84 (0.53) HTR2AHTR2CHTR2BGPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023061-A4 SOMATOSTATIN AGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6117880-A TREATMENT OF DIABETES, RETINOPATHY, RESTINOSIS, ACROMEGALY, AND DEPRESSION MERCK & CO., INC. (US) 2000-09-12 US disclosed
EP-1023061-A1 SOMATOSTATIN AGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
US-6063796-A HETEROCYCLIC COMPOUNDS OF PIPERIDINE MERCK & CO., INC. (US) 2000-05-16 US disclosed
EP-0984779-A4 SOMATOSTATIN AGONISTS MERCK & CO INC (US) 2000-05-10 EP disclosed
US-6057338-A USEFUL IN THE TREATMENT OF DIABETES, CANCER, ACROMEGALY, RESTENOSIS, DEPRESSION, IRRITABLE BOWEL SYNDROME, PAIN AND DIABETIC RETINOPATHY MERCK & CO., INC. (US) 2000-05-02 US disclosed
EP-0977751-A4 SOMATOSTATIN AGONISTS MERCK & CO INC (US) 2000-04-26 EP disclosed
EP-0984779-A1 SOMATOSTATIN AGONISTS Merck & Co., Inc. (US) 2000-03-15 EP disclosed
US-6025372-A Somatostatin agonists MERCK & CO., INC. (US) 2000-02-15 US disclosed
EP-0977751-A1 SOMATOSTATIN AGONISTS Merck & Co., Inc. (US) 2000-02-09 EP disclosed
WO-1999022735-A1 SOMATOSTATIN AGONISTS MERCK & CO., INC. (US) 1999-05-14 WO disclosed
WO-1998044921-A1 SOMATOSTATIN AGONISTS MERCK & CO., INC. (US) 1998-10-15 WO disclosed
WO-1998044922-A1 SOMATOSTATIN AGONISTS MERCK & CO., INC. (US) 1998-10-15 WO disclosed
WO-1998045285-A1 SOMATOSTATIN AGONISTS MERCK & CO., INC. (US) 1998-10-15 WO disclosed