SCHEMBL6844608

SCHEMBL6844608

CCCc1cc(OC)ccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.61
NOS1 P29475 10/20 0.61
NOS3 P29474 7/20 0.61
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
SREBF2 Q12772 3/20 0.52
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HTR1A P08908 3/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45

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
SCHEMBL31326817 0.89 NOS2 (0.57) NOS2NOS1NOS3CCR1CCR5
SCHEMBL17478086 0.86 NOS1 (0.54) NOS2NOS1NOS3CCR1CCR5
SCHEMBL2760431 0.84 NOS2 (0.65) NOS2NOS1NOS3CCR1CCR5
SCHEMBL4104275 0.83 NOS2 (0.59) NOS2NOS1NOS3CCR1CCR5
SCHEMBL26455651 0.80 NOS1 (0.56) NOS2NOS1NOS3CCR1CCR5
SCHEMBL12881247 0.80 LNPEP (0.47) NOS2NOS1NOS3SREBF2KDM4E
SCHEMBL21363309 0.79 LTA4H (0.47) NOS2NOS1NOS3SREBF2KDM4E
SCHEMBL7715426 0.79 NOS2 (0.54) NOS2NOS1NOS3CCR1CCR5
SCHEMBL20099812 0.79 NOS2 (0.54) NOS2NOS1NOS3CCR1CCR5
SCHEMBL10990622 0.79 NOS1 (0.54) NOS2NOS1NOS3CCR1CCR5

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
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
WO-2012136834-A9 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2012-12-27 WO disclosed
WO-2012136834-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2012-10-11 WO disclosed
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed
EP-0986560-B1 PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES KAROBIO AB (SE) 2004-03-24 EP disclosed
US-6080754-A Pyrrolo[2,1,5-cd]indolizine derivatives useful in the prevention or treatment of estrogen related diseases or syndromes NOVO NORDISK A/S (DK) 2000-06-27 US disclosed
US-6075036-A Pyrrolo [2,1,5-cd] indolizine derivatives useful in the prevention or treatment of estrogen related diseases or syndromes NOVO NORDISK (DK) 2000-06-13 US disclosed
EP-0988303-A1 PYRROLO 2,1,5-cd]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 2000-03-29 EP disclosed
EP-0986560-A1 PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 2000-03-22 EP disclosed
WO-1998055483-A9 PYRROLO[2,1,5-cd]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2000-02-03 WO disclosed
WO-1998055482-A1 PYRROLO[2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-12-10 WO disclosed
WO-1998055483-A1 PYRROLO[2,1,5-cd]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-12-10 WO disclosed